phenacyl 2-(2-azanylethyl)-1-[2-azanylpropanoyl(phenylmethoxycarbonyl)amino]-2-methoxy-3,6-bis(oxidanylidene)cyclohexane-1-carboxylate

Systemtic Name: phenacyl 2-(2-azanylethyl)-1-[2-azanylpropanoyl(phenylmethoxycarbonyl)amino]-2-methoxy-3,6-bis(oxidanylidene)cyclohexane-1-carboxylate Openeye Name: phenacyl 2-(2-aminoethyl)-1-[2-aminopropanoyl(benzyloxycarbonyl)amino]-2-methoxy-3,6-dioxo-cyclohexanecarboxylate CAS Name: 2-(2-aminoethyl)-1-[(2-amino-1-oxopropyl)-phenylmethoxycarbonylamino]-2-methoxy-3,6-dioxo-1-cyclohexanecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(2-aminoethyl)-1-[2-aminopropanoyl(phenylmethoxycarbonyl)amino]-2-methoxy-3,6-dioxocyclohexane-1-carboxylate Traditional Name: 1-[alanyl(carbobenzoxy)amino]-2-(2-aminoethyl)-3,6-diketo-2-methoxy-cyclohexanecarboxylic acid phenacyl ester Formula: C29H33N3O9 MolecularWeight: 567.58702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C(=O)OCC1=CC=CC=C1)C2(C(=O)CCC(=O)C2(CCN)OC)C(=O)OCC(=O)C3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)N(C(=O)OCC1=CC=CC=C1)C2(C(=O)CCC(=O)C2(CCN)OC)C(=O)OCC(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C29H33N3O9/c1-19(31)25(36)32(27(38)41-17-20-9-5-3-6-10-20)29(24(35)14-13-23(34)28(29,39-2)15-16-30)26(37)40-18-22(33)21-11-7-4-8-12-21/h3-12,19H,13-18,30-31H2,1-2H3