3-(1,3-benzodioxol-5-yl)-3-[[4-methyl-1-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methylamino]-1-oxidanylidene-pentan-2-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[[4-methyl-1-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methylamino]-1-oxidanylidene-pentan-2-yl]carbamoylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[[3-methyl-1-[[4-(o-tolylcarbamoylamino)phenyl]methylcarbamoyl]butyl]carbamoylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[[[4-methyl-1-[[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]methylamino]-1-oxopentan-2-yl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[[4-methyl-1-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methylamino]-1-oxopentan-2-yl]carbamoylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[[3-methyl-1-[[4-(o-tolylcarbamoylamino)benzyl]carbamoyl]butyl]carbamoylamino]propionic acid Formula: C32H37N5O7 MolecularWeight: 603.66548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CNC(=O)C(CC(C)C)NC(=O)NC(CC(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CNC(=O)C(CC(C)C)NC(=O)NC(CC(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C32H37N5O7/c1-19(2)14-26(37-32(42)36-25(16-29(38)39)22-10-13-27-28(15-22)44-18-43-27)30(40)33-17-21-8-11-23(12-9-21)34-31(41)35-24-7-5-4-6-20(24)3/h4-13,15,19,25-26H,14,16-18H2,1-3H3,(H,33,40)(H,38,39)(H2,34,35,41)(H2,36,37,42)