methyl 2-[2-cyano-4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-3-oxidanylidene-3-(pentylamino)propyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[2-cyano-4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-3-oxidanylidene-3-(pentylamino)propyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-oxo-3-(pentylamino)propyl]-2-cyano-phenoxy]acetate CAS Name: 2-[2-cyano-4-[(2S)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-oxo-3-(pentylamino)propyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-cyano-4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]phenoxy]acetate Traditional Name: 2-[4-[(2S)-3-(amylamino)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-keto-propyl]-2-cyano-phenoxy]acetic acid methyl ester Formula: C32H42N4O7 MolecularWeight: 594.69848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CC(=C(C=C1)OCC(=O)OC)C#N)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCNC(=O)[C@H](CC1=CC(=C(C=C1)OCC(=O)OC)C#N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C32H42N4O7/c1-6-7-11-16-34-29(38)25(19-23-14-15-27(24(17-23)20-33)42-21-28(37)41-5)35-30(39)26(18-22-12-9-8-10-13-22)36-31(40)43-32(2,3)4/h8-10,12-15,17,25-26H,6-7,11,16,18-19,21H2,1-5H3,(H,34,38)(H,35,39)(H,36,40)/t25-,26-/m0/s1