2-azanyl-2-[(4-methoxyphenyl)sulfonylmethyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl-phenyl-amino]-3-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-2-[(4-methoxyphenyl)sulfonylmethyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl-phenyl-amino]-3-oxidanylidene-butanoic acid Openeye Name: 2-amino-4-(N-[2-(tert-butoxycarbonylamino)acetyl]anilino)-2-[(4-methoxyphenyl)sulfonylmethyl]-3-oxo-butanoic acid CAS Name: 2-amino-2-[(4-methoxyphenyl)sulfonylmethyl]-4-(N-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]anilino)-3-oxobutanoic acid IUPAC Name: 2-amino-2-[(4-methoxyphenyl)sulfonylmethyl]-4-(N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]anilino)-3-oxobutanoic acid Traditional Name: 2-amino-4-(N-[2-(tert-butoxycarbonylamino)acetyl]anilino)-3-keto-2-[(4-methoxyphenyl)sulfonylmethyl]butyric acid Formula: C25H31N3O9S MolecularWeight: 549.59334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)N(CC(=O)C(CS(=O)(=O)C1=CC=C(C=C1)OC)(C(=O)O)N)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)N(CC(=O)C(CS(=O)(=O)C1=CC=C(C=C1)OC)(C(=O)O)N)C2=CC=CC=C2

InChI

InChI=1S/C25H31N3O9S/c1-24(2,3)37-23(33)27-14-21(30)28(17-8-6-5-7-9-17)15-20(29)25(26,22(31)32)16-38(34,35)19-12-10-18(36-4)11-13-19/h5-13H,14-16,26H2,1-4H3,(H,27,33)(H,31,32)