ethyl 4-(1-methylindol-3-yl)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(1-methylindol-3-yl)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-(1-methylindol-3-yl)-3-oxo-butanoate CAS Name: 4-(1-methyl-3-indolyl)-2-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(1-methylindol-3-yl)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-oxobutanoate Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-keto-4-(1-methylindol-3-yl)butyric acid ethyl ester Formula: C29H35N3O6 MolecularWeight: 521.6047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)CC1=CN(C2=CC=CC=C21)C)NC(=O)C(CC(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C(=O)CC1=CN(C2=CC=CC=C21)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H35N3O6/c1-5-37-28(35)26(25(33)16-21-17-32(4)24-14-10-9-13-22(21)24)31-27(34)23(15-19(2)3)30-29(36)38-18-20-11-7-6-8-12-20/h6-14,17,19,23,26H,5,15-16,18H2,1-4H3,(H,30,36)(H,31,34)/t23-,26?/m0/s1