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

Systemtic Name: ethyl 2-[[(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-oxidanylidene-hexanoate Openeye Name: ethyl 2-[[(2R)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-oxo-hexanoate CAS Name: 2-[[(2R)-3-(1H-indol-3-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-oxohexanoic acid ethyl ester IUPAC Name: ethyl 2-[[(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-oxohexanoate Traditional Name: 2-[[(2R)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-keto-hexanoic acid ethyl ester Formula: C27H31N3O6 MolecularWeight: 493.55154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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