Fasciculin 3

Structural Information

Molecular Formula

C₂₈₄H₄₅₅N₈₇O₉₀S₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CS)C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC9=CC=C(C=C9)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C284H455N87O90S9/c1-22-138(13)218(361-224(405)140(15)317-229(410)162(50-35-86-306-281(295)296)328-254(435)187(121-375)351-270(451)221(143(18)379)365-273(454)223(145(20)381)366-272(453)222(144(19)380)363-252(433)175(103-150-111-303-131-315-150)338-255(436)185(119-373)349-245(426)174(101-148-63-71-154(384)72-64-148)337-259(440)194(128-467)358-269(450)219(139(14)23-2)362-265(446)215(292)141(16)377)268(449)345-171(98-135(7)8)242(423)325-157(44-24-29-80-285)233(414)341-180(109-213(401)402)251(432)353-190(124-463)228(409)313-114-205(389)319-166(75-77-209(393)394)238(419)339-177(106-203(291)387)247(428)350-186(120-374)256(437)356-192(126-465)257(438)336-172(99-146-59-67-152(382)68-60-146)243(424)327-163(51-36-87-307-282(297)298)231(412)323-158(45-25-30-81-286)235(416)348-184(118-372)253(434)329-164(52-37-88-308-283(299)300)232(413)324-165(53-38-89-309-284(301)302)234(415)346-182(104-151-112-304-132-316-151)274(455)370-93-42-57-200(370)278(459)369-92-41-56-199(369)263(444)332-160(47-27-32-83-288)230(411)331-168(79-95-470-21)240(421)360-217(137(11)12)267(448)344-169(96-133(3)4)226(407)311-113-204(388)318-156(49-34-85-305-280(293)294)225(406)310-115-207(391)321-189(123-462)227(408)312-116-208(392)322-196(130-469)276(457)371-94-43-58-201(371)277(458)368-91-39-54-197(368)262(443)314-117-206(390)320-178(107-211(397)398)248(429)342-179(108-212(399)400)250(431)335-173(100-147-61-69-153(383)70-62-147)244(425)334-170(97-134(5)6)241(422)330-167(76-78-210(395)396)239(420)359-216(136(9)10)266(447)333-161(48-28-33-84-289)237(418)355-193(127-466)260(441)357-195(129-468)261(442)364-220(142(17)378)271(452)352-188(122-376)275(456)367-90-40-55-198(367)264(445)343-181(110-214(403)404)249(430)326-159(46-26-31-82-287)236(417)354-191(125-464)258(439)340-176(105-202(290)386)246(427)347-183(279(460)461)102-149-65-73-155(385)74-66-149/h59-74,111-112,131-145,156-201,215-223,372-385,462-469H,22-58,75-110,113-130,285-289,292H2,1-21H3,(H2,290,386)(H2,291,387)(H,303,315)(H,304,316)(H,310,406)(H,311,407)(H,312,408)(H,313,409)(H,314,443)(H,317,410)(H,318,388)(H,319,389)(H,320,390)(H,321,391)(H,322,392)(H,323,412)(H,324,413)(H,325,423)(H,326,430)(H,327,424)(H,328,435)(H,329,434)(H,330,422)(H,331,411)(H,332,444)(H,333,447)(H,334,425)(H,335,431)(H,336,438)(H,337,440)(H,338,436)(H,339,419)(H,340,439)(H,341,414)(H,342,429)(H,343,445)(H,344,448)(H,345,449)(H,346,415)(H,347,427)(H,348,416)(H,349,426)(H,350,428)(H,351,451)(H,352,452)(H,353,432)(H,354,417)(H,355,418)(H,356,437)(H,357,441)(H,358,450)(H,359,420)(H,360,421)(H,361,405)(H,362,446)(H,363,433)(H,364,442)(H,365,454)(H,366,453)(H,393,394)(H,395,396)(H,397,398)(H,399,400)(H,401,402)(H,403,404)(H,460,461)(H4,293,294,305)(H4,295,296,306)(H4,297,298,307)(H4,299,300,308)(H4,301,302,309)/t138-,139-,140-,141+,142+,143+,144+,145+,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,215-,216-,217-,218-,219-,220-,221-,222-,223-/m0/s1

InChIKey

FCSHIGYHNYKZCM-GBEMRKAQSA-N

Compound name

(4S)-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[2-[[(2R)-1-[[2-[[(2R)-1-[(2S)-2-[(2S)-2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2R)-1-[[(2R)-1-[[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-6-amino-1-[[(2R)-1-[[(2S)-4-amino-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[2-[[(2R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 133065514