ethyl (2S)-2-[[(2R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[(2R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[(2R)-2-(benzyloxycarbonylamino)-5-(tert-butoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2R)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2R)-2-(benzyloxycarbonylamino)-5-(tert-butoxycarbonylamino)pentanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C29H39N3O7 MolecularWeight: 541.63586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCNC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C29H39N3O7/c1-5-37-26(34)24(19-21-13-8-6-9-14-21)31-25(33)23(17-12-18-30-27(35)39-29(2,3)4)32-28(36)38-20-22-15-10-7-11-16-22/h6-11,13-16,23-24H,5,12,17-20H2,1-4H3,(H,30,35)(H,31,33)(H,32,36)/t23-,24+/m1/s1