(2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: (2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: (2R)-4-(benzyloxycarbonylamino)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]butanoic acid CAS Name: (2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: (2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: (2R)-4-(benzyloxycarbonylamino)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]butyric acid Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCNC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N[C@H](CCNC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H24N2O7S/c1-2-3-15-30-18-9-11-19(12-10-18)32(28,29)24-20(21(25)26)13-14-23-22(27)31-16-17-7-5-4-6-8-17/h4-12,20,24H,13-16H2,1H3,(H,23,27)(H,25,26)/t20-/m1/s1