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

Systemtic Name: 3-[2-[3-benzamido-4-oxidanylidene-1-(2-phenylethanoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[3-benzamido-4-oxo-1-(2-phenylacetyl)-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-2-phenylethyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[3-benzamido-4-oxo-1-(2-phenylacetyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-[3-benzamido-4-keto-1-(2-phenylacetyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-keto-butyric acid Formula: C30H28N4O7 MolecularWeight: 556.56592

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C2=CC=CC=C2N1C(=O)CC3=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)CC3=CC=CC=C3)CC(=O)NC(CC(=O)O)C=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H28N4O7/c35-19-22(16-28(38)39)31-26(36)18-34-25-14-8-7-13-24(25)33(27(37)15-20-9-3-1-4-10-20)17-23(30(34)41)32-29(40)21-11-5-2-6-12-21/h1-14,19,22-23H,15-18H2,(H,31,36)(H,32,40)(H,38,39)