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

Systemtic Name: ethyl 3-(1-methylindol-3-yl)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-oxidanylidene-propanoate Openeye Name: ethyl 2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-(1-methylindol-3-yl)-3-oxo-propanoate CAS Name: 3-(1-methyl-3-indolyl)-2-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(1-methylindol-3-yl)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-oxopropanoate Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-keto-3-(1-methylindol-3-yl)propionic acid ethyl ester Formula: C28H33N3O6 MolecularWeight: 507.57812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C1=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)C1=CN(C2=CC=CC=C21)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H33N3O6/c1-5-36-27(34)24(25(32)21-16-31(4)23-14-10-9-13-20(21)23)30-26(33)22(15-18(2)3)29-28(35)37-17-19-11-7-6-8-12-19/h6-14,16,18,22,24H,5,15,17H2,1-4H3,(H,29,35)(H,30,33)/t22-,24?/m0/s1