(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-N-[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoylmethylcarbamoyl]ethyl]carbamoyl]-2-hydroxy-ethyl]butanediamide

Molecular Formula: C56H84N14O15


InChI: InChI=1/C56H84N14O15/c1-27(2)17-37(48(59)77)65-50(79)38(18-28(3)4)66-52(81)40(20-32-13-15-34(73)16-14-32)64-46(76)25-61-49(78)30(7)62-55(84)43(26-71)69-53(82)42(22-44(58)74)67-51(80)39(19-29(5)6)68-56(85)47(31(8)72)70-54(83)41(63-45(75)23-57)21-33-24-60-36-12-10-9-11-35(33)36/h9-16,24,27-31,37-43,47,60,71-73H,17-23,25-26,57H2,1-8H3,(H2,58,74)(H2,59,77)(H,61,78)(H,62,84)(H,63,75)(H,64,76)(H,65,79)(H,66,81)(H,67,80)(H,68,85)(H,69,82)(H,70,83)/t30-,31+,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1/f/h61-70H,58-59H2

InChIKey: InChIKey=MNRAFWKNAMSNJN-LCUAFIGPDW
SMILES: CC(C)CC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN

Names:
    (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-N-[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoylmethylcarbamoyl]ethyl]carbamoyl]-2-hydroxy-ethyl]butanediamide

Registries:
    PubChem CID 6324637
    PubChem ID 11600140