4-[(2-azanyl-1,3-benzothiazol-6-yl)carbonylamino]-5-[5-carbamimidoyl-2-[3-oxidanyl-2,3-bis(oxidanylidene)propyl]phenoxy]pentanoic acid

Systemtic Name: 4-[(2-azanyl-1,3-benzothiazol-6-yl)carbonylamino]-5-[5-carbamimidoyl-2-[3-oxidanyl-2,3-bis(oxidanylidene)propyl]phenoxy]pentanoic acid Openeye Name: 4-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]-5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxo-propyl)phenoxy]pentanoic acid CAS Name: 4-[[(2-amino-1,3-benzothiazol-6-yl)-oxomethyl]amino]-5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxopropyl)phenoxy]pentanoic acid IUPAC Name: 4-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]-5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxopropyl)phenoxy]pentanoic acid Traditional Name: 5-[5-amidino-2-(3-hydroxy-2,3-diketo-propyl)phenoxy]-4-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]valeric acid Formula: C23H23N5O7S MolecularWeight: 513.52302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=N)N)OCC(CCC(=O)O)NC(=O)C2=CC3=C(C=C2)N=C(S3)N)CC(=O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=N)N)OCC(CCC(=O)O)NC(=O)C2=CC3=C(C=C2)N=C(S3)N)CC(=O)C(=O)O

InChI

InChI=1S/C23H23N5O7S/c24-20(25)12-2-1-11(7-16(29)22(33)34)17(8-12)35-10-14(4-6-19(30)31)27-21(32)13-3-5-15-18(9-13)36-23(26)28-15/h1-3,5,8-9,14H,4,6-7,10H2,(H3,24,25)(H2,26,28)(H,27,32)(H,30,31)(H,33,34)