2-acetamido-3-azanyl-4-[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]-3-methanoyl-4-oxidanylidene-2-piperidin-1-yl-butanoic acid

Systemtic Name: 2-acetamido-3-azanyl-4-[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]-3-methanoyl-4-oxidanylidene-2-piperidin-1-yl-butanoic acid Openeye Name: 2-acetamido-3-amino-3-formyl-4-(2-guanidino-4-methyl-thiazol-5-yl)-4-oxo-2-(1-piperidyl)butanoic acid CAS Name: 2-acetamido-3-amino-4-[2-(diaminomethylideneamino)-4-methyl-5-thiazolyl]-3-formyl-4-oxo-2-(1-piperidinyl)butanoic acid IUPAC Name: 2-acetamido-3-amino-4-[2-(diaminomethylideneamino)-4-methyl-1,3-thiazol-5-yl]-3-formyl-4-oxo-2-piperidin-1-ylbutanoic acid Traditional Name: 2-acetamido-3-amino-3-formyl-4-(2-guanidino-4-methyl-thiazol-5-yl)-4-keto-2-piperidino-butyric acid Formula: C17H25N7O5S MolecularWeight: 439.4893

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(N)N)C(=O)C(C=O)(C(C(=O)O)(NC(=O)C)N2CCCCC2)N

Isomeric SMILES

CC1=C(SC(=N1)N=C(N)N)C(=O)C(C=O)(C(C(=O)O)(NC(=O)C)N2CCCCC2)N

InChI

InChI=1S/C17H25N7O5S/c1-9-11(30-15(21-9)22-14(18)19)12(27)16(20,8-25)17(13(28)29,23-10(2)26)24-6-4-3-5-7-24/h8H,3-7,20H2,1-2H3,(H,23,26)(H,28,29)(H4,18,19,21,22)