3-azanyl-4-[9-[bis(azanyl)methylideneamino]nonanoyl-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[9-[bis(azanyl)methylideneamino]nonanoyl-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)-(9-guanidinononanoyl)amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[9-(diaminomethylideneamino)-1-oxononyl]-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[9-(diaminomethylideneamino)nonanoyl-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[(1-benzyl-2-hydroxy-2-keto-ethyl)-(9-guanidinononanoyl)amino]-4-keto-butyric acid Formula: C23H35N5O6 MolecularWeight: 477.5539

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(C(=O)CCCCCCCCN=C(N)N)C(=O)C(CC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N(C(=O)CCCCCCCCN=C(N)N)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C23H35N5O6/c24-17(15-20(30)31)21(32)28(18(22(33)34)14-16-10-6-5-7-11-16)19(29)12-8-3-1-2-4-9-13-27-23(25)26/h5-7,10-11,17-18H,1-4,8-9,12-15,24H2,(H,30,31)(H,33,34)(H4,25,26,27)