Pnatar-transportan-21

Structural Information

Molecular Formula

C₂₈₂H₄₁₀N₁₁₈O₇₅S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CSSC[C@@H](C(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)N)C(=O)CN1C=C(C(=O)NC1=O)C)C(=O)CN2C=CC(=NC2=O)N)C(=O)CN3C=C(C(=O)NC3=O)C)C(=O)CN4C=NC5=C(N=CN=C54)N)C(=O)CN6C=NC7=C6N=C(NC7=O)N)C(=O)CN8C=NC9=C(N=CN=C98)N)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=C(C(=O)NC1=O)C)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=NC2=C1N=C(NC2=O)N)C(=O)CN1C=NC2=C1N=C(NC2=O)N)C(=O)CN1C=NC2=C(N=CN=C21)N)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=C(C(=O)NC1=O)C)NC(=O)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CNC(=O)[C@H](C)N

InChI

InChI=1S/C282H410N118O75S2/c1-27-156(15)225(265(461)343-174(236(299)438)93-150(3)4)357-257(453)173(40-32-36-54-286)341-256(452)172(39-31-35-53-285)340-249(445)165(24)336-259(455)177(96-153(9)10)344-250(446)164(23)333-248(444)163(22)335-258(454)176(95-152(7)8)345-251(447)166(25)334-254(450)171(38-30-34-52-284)342-260(456)178(97-154(11)12)348-263(459)181(100-190(294)403)349-266(462)226(157(16)28-2)358-264(460)183(350-255(451)170(37-29-33-51-283)338-192(405)102-320-252(448)175(94-151(5)6)346-261(457)179(98-155(13)14)347-262(458)180(99-168-41-43-169(402)44-42-168)339-193(406)101-319-247(443)162(21)287)140-477-476-139-182(337-167(26)401)253(449)318-70-92-384(218(431)132-394-106-161(20)246(442)368-282(394)475)122-208(421)309-61-83-375(214(427)128-390-76-50-189(293)356-278(390)471)110-196(409)304-56-78-371(210(423)124-386-72-46-185(289)352-274(386)467)109-195(408)305-57-79-372(211(424)125-387-73-47-186(290)353-275(387)468)112-198(411)312-64-86-378(219(432)133-395-144-327-227-233(296)321-141-324-237(227)395)118-204(417)316-68-90-383(224(437)138-400-149-332-232-242(400)361-272(302)364-269(232)465)121-207(420)317-69-91-381(222(435)136-398-147-330-230-240(398)359-270(300)362-267(230)463)119-205(418)308-60-82-374(213(426)127-389-75-49-188(292)355-277(389)470)111-197(410)310-62-84-376(216(429)130-392-104-159(18)244(440)366-280(392)473)114-200(413)307-59-81-373(212(425)126-388-74-48-187(291)354-276(388)469)113-199(412)313-65-87-379(220(433)134-396-145-328-228-234(297)322-142-325-238(228)396)117-203(416)315-67-89-382(223(436)137-399-148-331-231-241(399)360-271(301)363-268(231)464)120-206(419)314-66-88-380(221(434)135-397-146-329-229-235(298)323-143-326-239(229)397)116-202(415)311-63-85-377(217(430)131-393-105-160(19)245(441)367-281(393)474)115-201(414)306-58-80-370(209(422)123-385-71-45-184(288)351-273(385)466)108-194(407)303-55-77-369(107-191(295)404)215(428)129-391-103-158(17)243(439)365-279(391)472/h41-50,71-76,103-106,141-157,162-166,170-183,225-226,402H,27-40,51-70,77-102,107-140,283-287H2,1-26H3,(H2,294,403)(H2,295,404)(H2,299,438)(H,303,407)(H,304,409)(H,305,408)(H,306,414)(H,307,413)(H,308,418)(H,309,421)(H,310,410)(H,311,415)(H,312,411)(H,313,412)(H,314,419)(H,315,416)(H,316,417)(H,317,420)(H,318,449)(H,319,443)(H,320,448)(H,333,444)(H,334,450)(H,335,454)(H,336,455)(H,337,401)(H,338,405)(H,339,406)(H,340,445)(H,341,452)(H,342,456)(H,343,461)(H,344,446)(H,345,447)(H,346,457)(H,347,458)(H,348,459)(H,349,462)(H,350,451)(H,357,453)(H,358,460)(H2,288,351,466)(H2,289,352,467)(H2,290,353,468)(H2,291,354,469)(H2,292,355,470)(H2,293,356,471)(H2,296,321,324)(H2,297,322,325)(H2,298,323,326)(H,365,439,472)(H,366,440,473)(H,367,441,474)(H,368,442,475)(H3,300,359,362,463)(H3,301,360,363,464)(H3,302,361,364,465)/t156-,157-,162-,163-,164-,165-,166-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,225-,226-/m0/s1

InChIKey

CZOSFHPZTYXJSQ-DNNJSSERSA-N

Compound name

(2S)-2-[[(2S,3S)-2-[[(2R)-3-[[(2R)-2-acetamido-3-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[(2-amino-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-3-oxopropyl]disulfanyl]-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]butanediamide

Related CIDs

• CID 16134046