(2S)-2-[(2-aminoacetyl)amino]-N-[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]-2-(3H-imidazol-4-yl)ethyl]carbamoylmethylcarbamoyl]-2-hydroxy-propyl]carbamoyl]ethyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]-3-methyl-butyl]butanediamide

Molecular Formula: C52H73N15O12S


InChI: InChI=1/C52H73N15O12S/c1-27(2)17-36(64-51(78)40(21-41(54)69)61-42(70)22-53)48(75)66-38(19-31-23-57-34-14-10-9-13-33(31)34)47(74)60-28(3)46(73)67-44(29(4)68)52(79)58-25-43(71)62-39(20-32-24-56-26-59-32)50(77)65-37(18-30-11-7-6-8-12-30)49(76)63-35(45(55)72)15-16-80-5/h6-14,23-24,26-29,35-40,44,57,68H,15-22,25,53H2,1-5H3,(H2,54,69)(H2,55,72)(H,56,59)(H,58,79)(H,60,74)(H,61,70)(H,62,71)(H,63,76)(H,64,78)(H,65,77)(H,66,75)(H,67,73)/t28-,29+,35-,36-,37-,38-,39-,40-,44-/m0/s1/f/h58-67H,54-55H2

InChIKey: InChIKey=YPFNACALNKVZNK-ZXDRKGOSDW
SMILES: CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CC3=CN=CN3)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC(=O)N)NC(=O)CN

Names:
    (2S)-2-[(2-aminoacetyl)amino]-N-[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]-2-(3H-imidazol-4-yl)ethyl]carbamoylmethylcarbamoyl]-2-hydroxy-propyl]carbamoyl]ethyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]-3-methyl-butyl]butanediamide

Registries:
    PubChem CID 6324606
    PubChem ID 11600128