5(kgq)-tasp

Structural Information

Molecular Formula

C₁₁₂H₂₀₂N₄₀O₃₃S

SMILES

C1C[C@H](N(C1)C(=O)CNC(=O)[C@H](CCCCNC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCCCN)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCNC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCCCN)N)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCCCN)N)C(=O)N[C@@H](CCCCNC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCCCN)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCNC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCCCN)N)C(=O)NCC(=O)N[C@@H](CS)C(=O)O

InChI

InChI=1S/C112H202N40O33S/c113-45-11-1-22-64(119)95(167)133-56-87(158)140-74(33-39-82(124)153)100(172)129-51-17-7-28-69(104(176)138-61-92(163)145-80(63-186)112(184)185)147-110(182)79(38-44-94(165)166)150-108(180)73(31-10-20-54-132-103(175)77(36-42-85(127)156)143-90(161)59-136-98(170)67(122)25-4-14-48-116)151-111(183)81-32-21-55-152(81)93(164)62-139-105(177)70(29-8-18-52-130-101(173)75(34-40-83(125)154)141-88(159)57-134-96(168)65(120)23-2-12-46-114)146-106(178)71(27-6-16-50-118)148-107(179)72(149-109(181)78(37-43-86(128)157)144-91(162)60-137-99(171)68(123)26-5-15-49-117)30-9-19-53-131-102(174)76(35-41-84(126)155)142-89(160)58-135-97(169)66(121)24-3-13-47-115/h64-81,186H,1-63,113-123H2,(H2,124,153)(H2,125,154)(H2,126,155)(H2,127,156)(H2,128,157)(H,129,172)(H,130,173)(H,131,174)(H,132,175)(H,133,167)(H,134,168)(H,135,169)(H,136,170)(H,137,171)(H,138,176)(H,139,177)(H,140,158)(H,141,159)(H,142,160)(H,143,161)(H,144,162)(H,145,163)(H,146,178)(H,147,182)(H,148,179)(H,149,181)(H,150,180)(H,151,183)(H,165,166)(H,184,185)/t64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-/m0/s1

InChIKey

CHNYJKOZYMATAF-FBRGWWCRSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-bis[[(2S)-5-amino-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(2S)-5-amino-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-6-[[(2S)-5-amino-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-[[(2S)-6-[[(2S)-5-amino-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-1-[[2-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130746