(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoic acid
Molecular Formula:
C39H56N10O12
InChI: InChI=1/C39H56N10O12/c1-21(52)31(38(60)61)48-33(55)26(17-22-7-3-2-4-8-22)44-36(58)30-10-6-16-49(30)37(59)27(18-23-11-13-24(53)14-12-23)45-34(56)29(20-51)47-35(57)28(19-50)46-32(54)25(40)9-5-15-43-39(41)42/h2-4,7-8,11-14,21,25-31,50-53H,5-6,9-10,15-20,40H2,1H3,(H,44,58)(H,45,56)(H,46,54)(H,47,57)(H,48,55)(H,60,61)(H4,41,42,43)/t21-,25+,26+,27+,28+,29+,30+,31+/m1/s1/f/h44-48,60H,41-42H2
InChIKey: InChIKey=UJNKMWWQYMJEAN-FPLHKLGSDZ
SMILES: CC(C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)N)O
Names:
(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoic acid
Registries:
PubChem CID 10395797
PubChem ID 15411420
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