(2S)-4-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-2-[[(2S)-2-[4-(4-methylpiperazin-1-yl)butanoylamino]-4-phenyl-butanoyl]amino]pentanamide

Systemtic Name: (2S)-4-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-2-[[(2S)-2-[4-(4-methylpiperazin-1-yl)butanoylamino]-4-phenyl-butanoyl]amino]pentanamide Openeye Name: (2S)-N-[(1S)-1-benzyl-2-[[(1S)-3-methyl-1-[(2R)-2-methyloxirane-2-carbonyl]butyl]amino]-2-oxo-ethyl]-4-methyl-2-[[(2S)-2-[4-(4-methylpiperazin-1-yl)butanoylamino]-4-phenyl-butanoyl]amino]pentanamide CAS Name: (2S)-4-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyl-2-oxiranyl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[[4-(4-methyl-1-piperazinyl)-1-oxobutyl]amino]-1-oxo-4-phenylbutyl]amino]pentanamide IUPAC Name: (2S)-4-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[4-(4-methylpiperazin-1-yl)butanoylamino]-4-phenylbutanoyl]amino]pentanamide Traditional Name: (2S)-N-[(1S)-1-benzyl-2-keto-2-[[(1S)-3-methyl-1-[(2R)-2-methyloxirane-2-carbonyl]butyl]amino]ethyl]-4-methyl-2-[[(2S)-2-[4-(4-methylpiperazino)butanoylamino]-4-phenyl-butanoyl]amino]valeramide Formula: C43H64N6O6 MolecularWeight: 761.00486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1(CO1)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)C(CCC3=CC=CC=C3)NC(=O)CCCN4CCN(CC4)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)[C@]1(CO1)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC3=CC=CC=C3)NC(=O)CCCN4CCN(CC4)C

InChI

InChI=1S/C43H64N6O6/c1-30(2)26-35(39(51)43(5)29-55-43)45-42(54)37(28-33-16-11-8-12-17-33)47-41(53)36(27-31(3)4)46-40(52)34(20-19-32-14-9-7-10-15-32)44-38(50)18-13-21-49-24-22-48(6)23-25-49/h7-12,14-17,30-31,34-37H,13,18-29H2,1-6H3,(H,44,50)(H,45,54)(H,46,52)(H,47,53)/t34-,35-,36-,37-,43+/m0/s1