(2S)-2-[[(3S,12S,15S,18S)-3-[[(2S)-5-(diaminomethylideneamino)-2-methylamino-pentanoyl]amino]-15-(1H-indol-3-ylmethyl)-2,9,14,17-tetraoxo-1,8,13,16-tetrazabicyclo[16.3.0]henicosane-12-carbonyl]amino]-4-methyl-pentanoic acid

Molecular Formula: C40H61N11O8


InChI: InChI=1/C40H61N11O8/c1-23(2)20-31(39(58)59)50-35(54)28-15-16-33(52)44-17-7-6-12-29(48-34(53)27(43-3)13-8-18-45-40(41)42)38(57)51-19-9-14-32(51)37(56)49-30(36(55)47-28)21-24-22-46-26-11-5-4-10-25(24)26/h4-5,10-11,22-23,27-32,43,46H,6-9,12-21H2,1-3H3,(H,44,52)(H,47,55)(H,48,53)(H,49,56)(H,50,54)(H,58,59)(H4,41,42,45)/t27-,28-,29-,30-,31-,32-/m0/s1/f/h44,47-50,58H,41-42H2

InChIKey: InChIKey=DPYGZBMJSCYZBF-DDYGAMIIDE
SMILES: CC(C)CC(C(=O)O)NC(=O)C1CCC(=O)NCCCCC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)CC3=CNC4=CC=CC=C43)NC(=O)C(CCCN=C(N)N)NC

Names:
    (2S)-2-[[(3S,12S,15S,18S)-3-[[(2S)-5-(diaminomethylideneamino)-2-methylamino-pentanoyl]amino]-15-(1H-indol-3-ylmethyl)-2,9,14,17-tetraoxo-1,8,13,16-tetrazabicyclo[16.3.0]henicosane-12-carbonyl]amino]-4-methyl-pentanoic acid

Registries:
    PubChem CID 10440473
    PubChem ID 15460308