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

Systemtic Name: phenacyl 1-[2-azanylpropanoyl(phenylmethoxycarbonyl)amino]-2-(3-azanylpropyl)-2-methoxy-3,6-bis(oxidanylidene)cyclohexane-1-carboxylate Openeye Name: phenacyl 1-[2-aminopropanoyl(benzyloxycarbonyl)amino]-2-(3-aminopropyl)-2-methoxy-3,6-dioxo-cyclohexanecarboxylate CAS Name: 1-[(2-amino-1-oxopropyl)-phenylmethoxycarbonylamino]-2-(3-aminopropyl)-2-methoxy-3,6-dioxo-1-cyclohexanecarboxylic acid phenacyl ester IUPAC Name: phenacyl 1-[2-aminopropanoyl(phenylmethoxycarbonyl)amino]-2-(3-aminopropyl)-2-methoxy-3,6-dioxocyclohexane-1-carboxylate Traditional Name: 1-[alanyl(carbobenzoxy)amino]-2-(3-aminopropyl)-3,6-diketo-2-methoxy-cyclohexanecarboxylic acid phenacyl ester Formula: C30H35N3O9 MolecularWeight: 581.6136

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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(CCCN)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(CCCN)OC)C(=O)OCC(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C30H35N3O9/c1-20(32)26(37)33(28(39)42-18-21-10-5-3-6-11-21)30(27(38)41-19-23(34)22-12-7-4-8-13-22)25(36)15-14-24(35)29(30,40-2)16-9-17-31/h3-8,10-13,20H,9,14-19,31-32H2,1-2H3