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

Systemtic Name: 3-[[2-[3-methylbutyl-[2-[[4-[(2-methylphenyl)carbamoylamino]phenyl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]-morpholin-4-ylcarbonyl-amino]propanoic acid Openeye Name: 3-[[2-[isopentyl-[2-[4-(o-tolylcarbamoylamino)anilino]-2-oxo-ethyl]amino]-2-oxo-ethyl]-(morpholine-4-carbonyl)amino]propanoic acid CAS Name: 3-[[2-[[2-[4-[[(2-methylanilino)-oxomethyl]amino]anilino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-[4-morpholinyl(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[[2-[3-methylbutyl-[2-[4-[(2-methylphenyl)carbamoylamino]anilino]-2-oxoethyl]amino]-2-oxoethyl]-(morpholine-4-carbonyl)amino]propanoic acid Traditional Name: 3-[[2-[isoamyl-[2-keto-2-[4-(o-tolylcarbamoylamino)anilino]ethyl]amino]-2-keto-ethyl]-(morpholine-4-carbonyl)amino]propionic acid Formula: C31H42N6O7 MolecularWeight: 610.70118

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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)C(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)NC(=O)CN(CCC(C)C)C(=O)CN(CCC(=O)O)C(=O)N3CCOCC3

InChI

InChI=1S/C31H42N6O7/c1-22(2)12-14-36(28(39)21-37(15-13-29(40)41)31(43)35-16-18-44-19-17-35)20-27(38)32-24-8-10-25(11-9-24)33-30(42)34-26-7-5-4-6-23(26)3/h4-11,22H,12-21H2,1-3H3,(H,32,38)(H,40,41)(H2,33,34,42)