prop-2-enyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-8-(phenylmethoxycarbonylamino)-2-(phenylmethyl)octanoate

Systemtic Name: prop-2-enyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-8-(phenylmethoxycarbonylamino)-2-(phenylmethyl)octanoate Openeye Name: allyl (4S)-2-benzyl-8-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)-3-oxo-octanoate CAS Name: (4S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-8-(phenylmethoxycarbonylamino)-2-(phenylmethyl)octanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-2-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-8-(phenylmethoxycarbonylamino)octanoate Traditional Name: (4S)-2-benzyl-8-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)-3-keto-caprylic acid allyl ester Formula: C31H40N2O7 MolecularWeight: 552.6585

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)C(CC2=CC=CC=C2)C(=O)OCC=C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)C(CC2=CC=CC=C2)C(=O)OCC=C

InChI

InChI=1S/C31H40N2O7/c1-5-20-38-28(35)25(21-23-14-8-6-9-15-23)27(34)26(33-30(37)40-31(2,3)4)18-12-13-19-32-29(36)39-22-24-16-10-7-11-17-24/h5-11,14-17,25-26H,1,12-13,18-22H2,2-4H3,(H,32,36)(H,33,37)/t25?,26-/m0/s1