(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoic acid
Molecular Formula:
C54H68N10O10S2
InChI: InChI=1/C54H68N10O10S2/c1-32(65)46(53(72)62-43(27-35-19-9-4-10-20-35)51(70)63-45(31-76)54(73)74)64-48(67)40(23-13-14-24-55)58-52(71)44(28-36-29-57-39-22-12-11-21-37(36)39)61-50(69)42(26-34-17-7-3-8-18-34)60-49(68)41(59-47(66)38(56)30-75)25-33-15-5-2-6-16-33/h2-12,15-22,29,32,38,40-46,57,65,75-76H,13-14,23-28,30-31,55-56H2,1H3,(H,58,71)(H,59,66)(H,60,68)(H,61,69)(H,62,72)(H,63,70)(H,64,67)(H,73,74)/t32-,38+,40+,41+,42+,43+,44-,45+,46+/m1/s1/f/h58-64,73H
InChIKey: InChIKey=CDMVTQHQSAPTJJ-XLLJQIKGDC
SMILES: CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CS)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CS)N)O
Names:
(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoic acid
Registries:
PubChem CID 196453
PubChem ID 10262158
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