Hrpdkcclgyqkr

Structural Information

Molecular Formula

C₆₇H₁₁₀N₂₄O₁₈S₂

SMILES

CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC3=CN=CN3)N

InChI

InChI=1S/C67H110N24O18S2/c1-35(2)26-45(55(98)79-31-52(94)81-46(27-36-15-17-38(92)18-16-36)59(102)84-42(19-20-51(71)93)58(101)82-40(10-3-5-21-68)56(99)86-44(65(108)109)13-8-24-78-67(74)75)87-61(104)48(32-110)90-62(105)49(33-111)89-57(100)41(11-4-6-22-69)83-60(103)47(29-53(95)96)88-63(106)50-14-9-25-91(50)64(107)43(12-7-23-77-66(72)73)85-54(97)39(70)28-37-30-76-34-80-37/h15-18,30,34-35,39-50,92,110-111H,3-14,19-29,31-33,68-70H2,1-2H3,(H2,71,93)(H,76,80)(H,79,98)(H,81,94)(H,82,101)(H,83,103)(H,84,102)(H,85,97)(H,86,99)(H,87,104)(H,88,106)(H,89,100)(H,90,105)(H,95,96)(H,108,109)(H4,72,73,77)(H4,74,75,78)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1

InChIKey

SVQPXSWJKRTKNM-OBCMTGTFSA-N

Compound name

(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Related CIDs

• CID 25078056