2-azanyl-2-[[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]carbonyl]-3-phenyl-heptanoic acid

Systemtic Name: 2-azanyl-2-[[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]carbonyl]-3-phenyl-heptanoic acid Openeye Name: 2-amino-2-(2-guanidino-4-methyl-thiazole-5-carbonyl)-3-phenyl-heptanoic acid CAS Name: 2-amino-2-[[2-(diaminomethylideneamino)-4-methyl-5-thiazolyl]-oxomethyl]-3-phenylheptanoic acid IUPAC Name: 2-amino-2-[2-(diaminomethylideneamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-phenylheptanoic acid Traditional Name: 2-amino-2-(2-guanidino-4-methyl-thiazole-5-carbonyl)-3-phenyl-enanthic acid Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1)C(C(=O)C2=C(N=C(S2)N=C(N)N)C)(C(=O)O)N

Isomeric SMILES

CCCCC(C1=CC=CC=C1)C(C(=O)C2=C(N=C(S2)N=C(N)N)C)(C(=O)O)N

InChI

InChI=1S/C19H25N5O3S/c1-3-4-10-13(12-8-6-5-7-9-12)19(22,16(26)27)15(25)14-11(2)23-18(28-14)24-17(20)21/h5-9,13H,3-4,10,22H2,1-2H3,(H,26,27)(H4,20,21,23,24)