4-[2-[[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxidanylidene-3-(3-phenylpropanoylamino)butanoic acid

Systemtic Name: 4-[2-[[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxidanylidene-3-(3-phenylpropanoylamino)butanoic acid Openeye Name: 4-[2-[(1-formyl-4-guanidino-butyl)carbamoyl]pyrrolidin-1-yl]-4-oxo-3-(3-phenylpropanoylamino)butanoic acid CAS Name: 4-[2-[[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-4-oxo-3-[(1-oxo-3-phenylpropyl)amino]butanoic acid IUPAC Name: 4-[2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-(3-phenylpropanoylamino)butanoic acid Traditional Name: 4-[2-[(1-formyl-4-guanidino-butyl)carbamoyl]pyrrolidino]-3-(hydrocinnamoylamino)-4-keto-butyric acid Formula: C24H34N6O6 MolecularWeight: 502.56336

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC(=O)O)NC(=O)CCC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C=O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC(=O)O)NC(=O)CCC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C=O

InChI

InChI=1S/C24H34N6O6/c25-24(26)27-12-4-8-17(15-31)28-22(35)19-9-5-13-30(19)23(36)18(14-21(33)34)29-20(32)11-10-16-6-2-1-3-7-16/h1-3,6-7,15,17-19H,4-5,8-14H2,(H,28,35)(H,29,32)(H,33,34)(H4,25,26,27)