2-acetamido-2-azanyl-3-[[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]carbonyl]-4-oxidanylidene-4-piperidin-1-yl-butanoic acid

Systemtic Name: 2-acetamido-2-azanyl-3-[[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]carbonyl]-4-oxidanylidene-4-piperidin-1-yl-butanoic acid Openeye Name: 2-acetamido-2-amino-3-(2-guanidinothiazole-4-carbonyl)-4-oxo-4-(1-piperidyl)butanoic acid CAS Name: 2-acetamido-2-amino-3-[[2-(diaminomethylideneamino)-4-thiazolyl]-oxomethyl]-4-oxo-4-(1-piperidinyl)butanoic acid IUPAC Name: 2-acetamido-2-amino-3-[2-(diaminomethylideneamino)-1,3-thiazole-4-carbonyl]-4-oxo-4-piperidin-1-ylbutanoic acid Traditional Name: 2-acetamido-2-amino-3-(2-guanidinothiazole-4-carbonyl)-4-keto-4-piperidino-butyric acid Formula: C16H23N7O5S MolecularWeight: 425.46272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(C(=O)C1=CSC(=N1)N=C(N)N)C(=O)N2CCCCC2)(C(=O)O)N

Isomeric SMILES

CC(=O)NC(C(C(=O)C1=CSC(=N1)N=C(N)N)C(=O)N2CCCCC2)(C(=O)O)N

InChI

InChI=1S/C16H23N7O5S/c1-8(24)22-16(19,13(27)28)10(12(26)23-5-3-2-4-6-23)11(25)9-7-29-15(20-9)21-14(17)18/h7,10H,2-6,19H2,1H3,(H,22,24)(H,27,28)(H4,17,18,20,21)