phenacyl (3S)-4-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenacyl (3S)-4-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: phenacyl (3S)-4-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-(tert-butoxycarbonylamino)-4-oxo-butanoate CAS Name: (3S)-4-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid phenacyl ester IUPAC Name: phenacyl (3S)-4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: (3S)-4-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-(tert-butoxycarbonylamino)-4-keto-butyric acid phenacyl ester Formula: C26H31N3O7 MolecularWeight: 497.54024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)OCC(=O)C1=CC=CC=C1)C(=O)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O7/c1-26(2,3)36-25(34)28-20(15-22(31)35-16-21(30)18-12-8-5-9-13-18)24(33)29-23(32)19(27)14-17-10-6-4-7-11-17/h4-13,19-20H,14-16,27H2,1-3H3,(H,28,34)(H,29,32,33)/t19-,20-/m0/s1