3-[[2-[4-[bis(azanyl)methylideneamino]-4-oxidanylidene-butyl]-3-oxidanylidene-[1,2,4]triazolo[4,3-a]pyridin-6-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[[2-[4-[bis(azanyl)methylideneamino]-4-oxidanylidene-butyl]-3-oxidanylidene-[1,2,4]triazolo[4,3-a]pyridin-6-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[2-(4-guanidino-4-oxo-butyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-[4-(diaminomethylideneamino)-4-oxobutyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[2-[4-(diaminomethylideneamino)-4-oxobutyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[2-(4-guanidino-4-keto-butyl)-3-keto-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]amino]propionic acid Formula: C23H26N8O7 MolecularWeight: 526.50194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CNC(=O)C2=CN3C(=NN(C3=O)CCCC(=O)N=C(N)N)C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CNC(=O)C2=CN3C(=NN(C3=O)CCCC(=O)N=C(N)N)C=C2)C(=O)O

InChI

InChI=1S/C23H26N8O7/c24-21(25)28-18(32)7-4-10-31-23(37)30-12-15(8-9-17(30)29-31)19(33)26-11-16(20(34)35)27-22(36)38-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,12,16H,4,7,10-11,13H2,(H,26,33)(H,27,36)(H,34,35)(H4,24,25,28,32)