2-[carboxy-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[carboxy-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[carboxy-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[carboxy-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[carboxy-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]amino]-4-methylpentanoic acid Traditional Name: 2-[carboxy-[3-keto-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]propyl]amino]-4-methyl-valeric acid Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN(C(CC(C)C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN(C(CC(C)C)C(=O)O)C(=O)O

InChI

InChI=1S/C18H23N3O5S/c1-10(2)8-13(16(23)24)21(18(25)26)7-6-15(22)20-17-19-12-5-4-11(3)9-14(12)27-17/h4-5,9-10,13H,6-8H2,1-3H3,(H,23,24)(H,25,26)(H,19,20,22)