3-[2-[4-(3-azanylpropyl)-2,5-bis(oxidanylidene)-3-(phenylmethyl)imidazolidin-1-yl]ethanoylamino]-4-oxidanylidene-4-[(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)amino]butanoic acid

Systemtic Name: 3-[2-[4-(3-azanylpropyl)-2,5-bis(oxidanylidene)-3-(phenylmethyl)imidazolidin-1-yl]ethanoylamino]-4-oxidanylidene-4-[(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)amino]butanoic acid Openeye Name: 3-[[2-[4-(3-aminopropyl)-3-benzyl-2,5-dioxo-imidazolidin-1-yl]acetyl]amino]-4-[(2-hydroxy-2-oxo-1-phenyl-ethyl)amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[4-(3-aminopropyl)-2,5-dioxo-3-(phenylmethyl)-1-imidazolidinyl]-1-oxoethyl]amino]-4-[(2-hydroxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[4-(3-aminopropyl)-3-benzyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-[(2-hydroxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoic acid Traditional Name: 3-[[2-[4-(3-aminopropyl)-3-benzyl-2,5-diketo-imidazolidin-1-yl]acetyl]amino]-4-[(2-hydroxy-2-keto-1-phenyl-ethyl)amino]-4-keto-butyric acid Formula: C27H31N5O8 MolecularWeight: 553.56374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(C(=O)N(C2=O)CC(=O)NC(CC(=O)O)C(=O)NC(C3=CC=CC=C3)C(=O)O)CCCN

Isomeric SMILES

C1=CC=C(C=C1)CN2C(C(=O)N(C2=O)CC(=O)NC(CC(=O)O)C(=O)NC(C3=CC=CC=C3)C(=O)O)CCCN

InChI

InChI=1S/C27H31N5O8/c28-13-7-12-20-25(37)32(27(40)31(20)15-17-8-3-1-4-9-17)16-21(33)29-19(14-22(34)35)24(36)30-23(26(38)39)18-10-5-2-6-11-18/h1-6,8-11,19-20,23H,7,12-16,28H2,(H,29,33)(H,30,36)(H,34,35)(H,38,39)