ethyl (2S)-2-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-(brosylamino)-6-(tert-butoxycarbonylamino)hexanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C28H38BrN3O7S MolecularWeight: 640.58622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C28H38BrN3O7S/c1-5-38-26(34)24(19-20-11-7-6-8-12-20)31-25(33)23(13-9-10-18-30-27(35)39-28(2,3)4)32-40(36,37)22-16-14-21(29)15-17-22/h6-8,11-12,14-17,23-24,32H,5,9-10,13,18-19H2,1-4H3,(H,30,35)(H,31,33)/t23-,24-/m0/s1