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

Systemtic Name: methyl (2S)-2-[[(2R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylsulfonylamino)pentanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2R)-2-(benzenesulfonamido)-5-(tert-butoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2R)-2-(benzenesulfonamido)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-2-(benzenesulfonamido)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2R)-2-(benzenesulfonamido)-5-(tert-butoxycarbonylamino)pentanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C26H35N3O7S MolecularWeight: 533.637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C26H35N3O7S/c1-26(2,3)36-25(32)27-17-11-16-21(29-37(33,34)20-14-9-6-10-15-20)23(30)28-22(24(31)35-4)18-19-12-7-5-8-13-19/h5-10,12-15,21-22,29H,11,16-18H2,1-4H3,(H,27,32)(H,28,30)/t21-,22+/m1/s1