methyl (2S)-2-[4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyloxy]but-2-ynoxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyloxy]but-2-ynoxycarbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[4-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]carbamoyloxy]but-2-ynoxycarbonylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[4-[[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-oxomethoxy]but-2-ynoxy-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyloxy]but-2-ynoxycarbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[4-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]carbamoyloxy]but-2-ynoxycarbonylamino]-3-phenyl-propionic acid methyl ester Formula: C26H28N2O8 MolecularWeight: 496.50912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)OCC#CCOC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC#CCOC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C26H28N2O8/c1-33-23(29)21(17-19-11-5-3-6-12-19)27-25(31)35-15-9-10-16-36-26(32)28-22(24(30)34-2)18-20-13-7-4-8-14-20/h3-8,11-14,21-22H,15-18H2,1-2H3,(H,27,31)(H,28,32)/t21-,22-/m0/s1