(phenylmethyl) N-[(2S)-1-[[(2S)-1-[2-(2-azanyl-2-oxidanylidene-ethyl)-2-[(E)-4-[methyl-[(2S)-1-[methyl(phenethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-but-2-enoyl]hydrazinyl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[[(2S)-1-[2-(2-azanyl-2-oxidanylidene-ethyl)-2-[(E)-4-[methyl-[(2S)-1-[methyl(phenethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-but-2-enoyl]hydrazinyl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-[[(1S)-2-[2-(2-amino-2-oxo-ethyl)-2-[(E)-4-[[(1S)-1-benzyl-2-[methyl(phenethyl)amino]-2-oxo-ethyl]-methyl-amino]-4-oxo-but-2-enoyl]hydrazino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-[methyl-[(2S)-1-[methyl(phenethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobut-2-enyl]hydrazinyl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-[methyl-[(2S)-1-[methyl(phenethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobut-2-enoyl]hydrazinyl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(1S)-2-[N'-(2-amino-2-keto-ethyl)-N'-[(E)-4-[[(1S)-1-benzyl-2-keto-2-[methyl(phenethyl)amino]ethyl]-methyl-amino]-4-keto-but-2-enoyl]hydrazino]-2-keto-1-methyl-ethyl]amino]-2-keto-1-methyl-ethyl]carbamic acid benzyl ester Formula: C39H47N7O8 MolecularWeight: 741.83258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN(CC(=O)N)C(=O)C=CC(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)CCC2=CC=CC=C2)NC(=O)C(C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NN(CC(=O)N)C(=O)/C=C/C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)N(C)CCC2=CC=CC=C2)NC(=O)[C@H](C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C39H47N7O8/c1-27(42-39(53)54-26-31-18-12-7-13-19-31)36(50)41-28(2)37(51)43-46(25-33(40)47)35(49)21-20-34(48)45(4)32(24-30-16-10-6-11-17-30)38(52)44(3)23-22-29-14-8-5-9-15-29/h5-21,27-28,32H,22-26H2,1-4H3,(H2,40,47)(H,41,50)(H,42,53)(H,43,51)/b21-20+/t27-,28-,32-/m0/s1