ethyl 2-[[(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methyl-3-oxidanylidene-pentanoate

Systemtic Name: ethyl 2-[[(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methyl-3-oxidanylidene-pentanoate Openeye Name: ethyl 2-[[(2R)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-3-oxo-pentanoate CAS Name: 2-[[(2R)-3-(1H-indol-3-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-4-methyl-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-[[(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methyl-3-oxopentanoate Traditional Name: 2-[[(2R)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-keto-4-methyl-valeric acid ethyl ester Formula: C27H31N3O6 MolecularWeight: 493.55154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C(C)C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C(=O)C(C)C)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H31N3O6/c1-4-35-26(33)23(24(31)17(2)3)30-25(32)22(14-19-15-28-21-13-9-8-12-20(19)21)29-27(34)36-16-18-10-6-5-7-11-18/h5-13,15,17,22-23,28H,4,14,16H2,1-3H3,(H,29,34)(H,30,32)/t22-,23?/m1/s1