Glycomacropeptides

Structural Information

Molecular Formula

C₂₈₈H₄₇₆N₇₂O₁₀₈S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]6CCCN6C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]7CCCN7C(=O)[C@@H]8CCCN8C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C288H476N72O108S/c1-45-129(21)208(337-277(456)222(148(40)375)344-250(429)169(112-190(297)383)322-268(447)211(132(24)48-4)338-278(457)223(149(41)376)348-258(437)182-72-61-104-357(182)285(464)213(134(26)50-6)340-244(423)164(84-94-198(397)398)316-270(449)216(142(34)369)342-240(419)155(67-53-56-99-291)306-247(426)170(113-200(401)402)318-236(415)156(76-86-186(293)379)307-246(425)167(110-188(295)381)317-235(414)153(65-51-54-97-289)305-234(413)154(66-52-55-98-290)309-255(434)179-69-59-103-356(179)284(463)185-75-64-107-360(185)286(465)212(133(25)49-5)339-229(408)136(28)299-231(410)152(292)96-108-469-44)265(444)302-135(27)226(405)323-172(116-361)232(411)298-115-191(384)304-165(85-95-199(399)400)280(459)353-100-58-71-181(353)257(436)347-217(143(35)370)273(452)326-175(119-364)253(432)352-225(151(43)378)287(466)358-105-62-73-183(358)259(438)349-224(150(42)377)279(458)351-218(144(36)371)271(450)315-158(78-88-192(385)386)233(412)300-137(29)227(406)329-203(124(11)12)261(440)313-160(80-90-194(389)390)238(417)324-173(117-362)251(430)346-221(147(39)374)276(455)332-202(123(9)10)260(439)301-139(31)230(409)341-215(141(33)368)272(451)320-166(109-122(7)8)245(424)308-159(79-89-193(387)388)237(416)319-171(114-201(403)404)248(427)328-176(120-365)281(460)354-101-57-68-178(354)254(433)310-162(82-92-196(393)394)242(421)330-205(126(15)16)263(442)336-210(131(23)47-3)266(445)314-161(81-91-195(391)392)239(418)327-177(121-366)282(461)359-106-63-74-184(359)283(462)355-102-60-70-180(355)256(435)311-163(83-93-197(395)396)243(422)335-209(130(22)46-2)267(446)321-168(111-189(296)382)249(428)343-220(146(38)373)275(454)333-204(125(13)14)262(441)312-157(77-87-187(294)380)241(420)331-206(127(17)18)264(443)350-219(145(37)372)274(453)325-174(118-363)252(431)345-214(140(32)367)269(448)303-138(30)228(407)334-207(128(19)20)288(467)468/h122-185,202-225,361-378H,45-121,289-292H2,1-44H3,(H2,293,379)(H2,294,380)(H2,295,381)(H2,296,382)(H2,297,383)(H,298,411)(H,299,410)(H,300,412)(H,301,439)(H,302,444)(H,303,448)(H,304,384)(H,305,413)(H,306,426)(H,307,425)(H,308,424)(H,309,434)(H,310,433)(H,311,435)(H,312,441)(H,313,440)(H,314,445)(H,315,450)(H,316,449)(H,317,414)(H,318,415)(H,319,416)(H,320,451)(H,321,446)(H,322,447)(H,323,405)(H,324,417)(H,325,453)(H,326,452)(H,327,418)(H,328,427)(H,329,406)(H,330,421)(H,331,420)(H,332,455)(H,333,454)(H,334,407)(H,335,422)(H,336,442)(H,337,456)(H,338,457)(H,339,408)(H,340,423)(H,341,409)(H,342,419)(H,343,428)(H,344,429)(H,345,431)(H,346,430)(H,347,436)(H,348,437)(H,349,438)(H,350,443)(H,351,458)(H,352,432)(H,385,386)(H,387,388)(H,389,390)(H,391,392)(H,393,394)(H,395,396)(H,397,398)(H,399,400)(H,401,402)(H,403,404)(H,467,468)/t129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152-,153-,154-,155-,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-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-/m0/s1

InChIKey

ONBRGSXMBLYLNO-JZZSLKSSSA-N

Compound name

(4S)-4-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 137321953