3-[2-[3-benzamido-4-oxidanylidene-1-(3-phenylpropanoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[2-[3-benzamido-4-oxidanylidene-1-(3-phenylpropanoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[3-benzamido-4-oxo-1-(3-phenylpropanoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[3-benzamido-4-oxo-1-(1-oxo-3-phenylpropyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[3-benzamido-4-oxo-1-(3-phenylpropanoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-(3-benzamido-1-hydrocinnamoyl-4-keto-2,3-dihydro-1,5-benzodiazepin-5-yl)acetyl]amino]-4-keto-butyric acid Formula: C31H30N4O7 MolecularWeight: 570.5925

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C2=CC=CC=C2N1C(=O)CCC3=CC=CC=C3)CC(=O)NC(CC(=O)O)C=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C(=O)N(C2=CC=CC=C2N1C(=O)CCC3=CC=CC=C3)CC(=O)NC(CC(=O)O)C=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H30N4O7/c36-20-23(17-29(39)40)32-27(37)19-35-26-14-8-7-13-25(26)34(28(38)16-15-21-9-3-1-4-10-21)18-24(31(35)42)33-30(41)22-11-5-2-6-12-22/h1-14,20,23-24H,15-19H2,(H,32,37)(H,33,41)(H,39,40)