methyl 2-[[4-methyl-1-oxidanylidene-1-(phenethylamino)pentan-2-yl]amino]-4-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: methyl 2-[[4-methyl-1-oxidanylidene-1-(phenethylamino)pentan-2-yl]amino]-4-(phenylmethoxycarbonylamino)butanoate Openeye Name: methyl 4-(benzyloxycarbonylamino)-2-[[3-methyl-1-(phenethylcarbamoyl)butyl]amino]butanoate CAS Name: 2-[[4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl]amino]-4-(phenylmethoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl]amino]-4-(phenylmethoxycarbonylamino)butanoate Traditional Name: 4-(benzyloxycarbonylamino)-2-[[3-methyl-1-(phenethylcarbamoyl)butyl]amino]butyric acid methyl ester Formula: C27H37N3O5 MolecularWeight: 483.59978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCC1=CC=CC=C1)NC(CCNC(=O)OCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)CC(C(=O)NCCC1=CC=CC=C1)NC(CCNC(=O)OCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C27H37N3O5/c1-20(2)18-24(25(31)28-16-14-21-10-6-4-7-11-21)30-23(26(32)34-3)15-17-29-27(33)35-19-22-12-8-5-9-13-22/h4-13,20,23-24,30H,14-19H2,1-3H3,(H,28,31)(H,29,33)