methyl 2-[(2S,6S)-6-[(1R)-2-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-oxidanylidene-1-[(phenylmethyl)carbamoyl]piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S,6S)-6-[(1R)-2-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-oxidanylidene-1-[(phenylmethyl)carbamoyl]piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2S,6S)-1-(benzylcarbamoyl)-6-[(1R)-1-(tert-butoxycarbonylamino)-2-(1H-indol-3-yl)ethyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S,6S)-6-[(1R)-2-(1H-indol-3-yl)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]-3-oxo-1-[oxo-[(phenylmethyl)amino]methyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S,6S)-1-(benzylcarbamoyl)-6-[(1R)-2-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S,6S)-1-(benzylcarbamoyl)-6-[(1R)-1-(tert-butoxycarbonylamino)-2-(1H-indol-3-yl)ethyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C30H37N5O6 MolecularWeight: 563.64468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C3CNC(=O)C(N3C(=O)NCC4=CC=CC=C4)CC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CNC2=CC=CC=C21)[C@@H]3CNC(=O)[C@@H](N3C(=O)NCC4=CC=CC=C4)CC(=O)OC

InChI

InChI=1S/C30H37N5O6/c1-30(2,3)41-29(39)34-23(14-20-17-31-22-13-9-8-12-21(20)22)25-18-32-27(37)24(15-26(36)40-4)35(25)28(38)33-16-19-10-6-5-7-11-19/h5-13,17,23-25,31H,14-16,18H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)/t23-,24+,25+/m1/s1