3-[(4-methoxyphenyl)sulfonyl-[2-[3-methylbutyl-[2-[[4-[(2-methylphenyl)carbamoylamino]phenyl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]propanoic acid

Systemtic Name: 3-[(4-methoxyphenyl)sulfonyl-[2-[3-methylbutyl-[2-[[4-[(2-methylphenyl)carbamoylamino]phenyl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]propanoic acid Openeye Name: 3-[[2-[isopentyl-[2-[4-(o-tolylcarbamoylamino)anilino]-2-oxo-ethyl]amino]-2-oxo-ethyl]-(4-methoxyphenyl)sulfonyl-amino]propanoic acid CAS Name: 3-[(4-methoxyphenyl)sulfonyl-[2-[[2-[4-[[(2-methylanilino)-oxomethyl]amino]anilino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]amino]propanoic acid IUPAC Name: 3-[(4-methoxyphenyl)sulfonyl-[2-[3-methylbutyl-[2-[4-[(2-methylphenyl)carbamoylamino]anilino]-2-oxoethyl]amino]-2-oxoethyl]amino]propanoic acid Traditional Name: 3-[[2-[isoamyl-[2-keto-2-[4-(o-tolylcarbamoylamino)anilino]ethyl]amino]-2-keto-ethyl]-(4-methoxyphenyl)sulfonyl-amino]propionic acid Formula: C33H41N5O8S MolecularWeight: 667.77234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)NC(=O)CN(CCC(C)C)C(=O)CN(CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)NC(=O)CN(CCC(C)C)C(=O)CN(CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C33H41N5O8S/c1-23(2)17-19-37(31(40)22-38(20-18-32(41)42)47(44,45)28-15-13-27(46-4)14-16-28)21-30(39)34-25-9-11-26(12-10-25)35-33(43)36-29-8-6-5-7-24(29)3/h5-16,23H,17-22H2,1-4H3,(H,34,39)(H,41,42)(H2,35,36,43)