(phenylmethyl) N-[(2S)-5-methyl-1-[[3-[[(2S)-4-methyl-2-(phenoxycarbonylamino)pentanoyl]amino]-2-oxidanylidene-propyl]amino]-1-oxidanylidene-hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-5-methyl-1-[[3-[[(2S)-4-methyl-2-(phenoxycarbonylamino)pentanoyl]amino]-2-oxidanylidene-propyl]amino]-1-oxidanylidene-hexan-2-yl]carbamate Openeye Name: phenyl N-[(1S)-1-[[3-[[(2S)-2-(benzyloxycarbonylamino)-5-methyl-hexanoyl]amino]-2-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[(2S)-5-methyl-1-[[3-[[(2S)-4-methyl-1-oxo-2-[[oxo(phenoxy)methyl]amino]pentyl]amino]-2-oxopropyl]amino]-1-oxohexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-5-methyl-1-[[3-[[(2S)-4-methyl-2-(phenoxycarbonylamino)pentanoyl]amino]-2-oxopropyl]amino]-1-oxohexan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[3-[[(2S)-2-(benzyloxycarbonylamino)-5-methyl-hexanoyl]amino]-2-keto-propyl]carbamoyl]-3-methyl-butyl]carbamic acid phenyl ester Formula: C31H42N4O7 MolecularWeight: 582.68778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(=O)NCC(=O)CNC(=O)C(CC(C)C)NC(=O)OC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC[C@@H](C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C31H42N4O7/c1-21(2)15-16-26(34-30(39)41-20-23-11-7-5-8-12-23)28(37)32-18-24(36)19-33-29(38)27(17-22(3)4)35-31(40)42-25-13-9-6-10-14-25/h5-14,21-22,26-27H,15-20H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)(H,35,40)/t26-,27-/m0/s1