(4s)-4-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2,6-diaminohexanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-oxo-5-[[(2s)-1-oxo-1-[[(3s)-2-oxoheptan-3-yl]amino]propan-2-yl]amino]pentanoic acid

Structural Information

Molecular Formula

C₅₀H₈₄N₁₄O₁₃

SMILES

CCCC[C@@H](C(=O)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](CCCC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C50H84N14O13/c1-8-10-16-35(31(7)65)58-42(68)30(6)57-45(71)38(23-24-40(66)67)60-48(74)39(27-32-19-21-33(22-20-32)64(76)77)62-46(72)36(17-11-9-2)61-49(75)41(28(3)4)63-47(73)37(18-14-26-55-50(53)54)59-43(69)29(5)56-44(70)34(52)15-12-13-25-51/h19-22,28-30,34-39,41H,8-18,23-27,51-52H2,1-7H3,(H,56,70)(H,57,71)(H,58,68)(H,59,69)(H,60,74)(H,61,75)(H,62,72)(H,63,73)(H,66,67)(H4,53,54,55)/t29-,30-,34-,35-,36-,37-,38-,39-,41-/m0/s1

InChIKey

QCFBDQRVVWSCFQ-LMRFTOELSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-oxo-5-[[(2S)-1-oxo-1-[[(3S)-2-oxoheptan-3-yl]amino]propan-2-yl]amino]pentanoic acid

Related CIDs

• CID 6474994