ethyl 2-[[3-(1-methylindol-3-yl)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-pyridin-2-yl-propanoate

Systemtic Name: ethyl 2-[[3-(1-methylindol-3-yl)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-pyridin-2-yl-propanoate Openeye Name: ethyl 2-[[2-(benzyloxycarbonylamino)-3-(1-methylindol-3-yl)butanoyl]amino]-3-(2-pyridyl)propanoate CAS Name: 2-[[3-(1-methyl-3-indolyl)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-3-(2-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[3-(1-methylindol-3-yl)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-pyridin-2-ylpropanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(1-methylindol-3-yl)butanoyl]amino]-3-(2-pyridyl)propionic acid ethyl ester Formula: C31H34N4O5 MolecularWeight: 542.62546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=N1)NC(=O)C(C(C)C2=CN(C3=CC=CC=C32)C)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=N1)NC(=O)C(C(C)C2=CN(C3=CC=CC=C32)C)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H34N4O5/c1-4-39-30(37)26(18-23-14-10-11-17-32-23)33-29(36)28(34-31(38)40-20-22-12-6-5-7-13-22)21(2)25-19-35(3)27-16-9-8-15-24(25)27/h5-17,19,21,26,28H,4,18,20H2,1-3H3,(H,33,36)(H,34,38)