2-[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[(2S)-2-amino-5-guanidino-pentanoyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[(2S)-2-amino-5-guanidino-pentanoyl]-1,3-benzothiazole-6-carboxylic acid Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)SC(=N2)C(=O)C(CCCN=C(N)N)N

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)SC(=N2)C(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C14H17N5O3S/c15-8(2-1-5-18-14(16)17)11(20)12-19-9-4-3-7(13(21)22)6-10(9)23-12/h3-4,6,8H,1-2,5,15H2,(H,21,22)(H4,16,17,18)/t8-/m0/s1