5-azanyl-4-[2-[(2-methyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl)carbonylamino]propanoyl-(phenylmethyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-4-[2-[(2-methyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl)carbonylamino]propanoyl-(phenylmethyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-4-[benzyl-[2-[(2-methyl-3-oxo-4H-1,4-benzothiazine-2-carbonyl)amino]propanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-4-[[2-[[(2-methyl-3-oxo-4H-1,4-benzothiazin-2-yl)-oxomethyl]amino]-1-oxopropyl]-(phenylmethyl)amino]-5-oxopentanoic acid IUPAC Name: 5-amino-4-[benzyl-[2-[(2-methyl-3-oxo-4H-1,4-benzothiazine-2-carbonyl)amino]propanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-4-[benzyl-[2-[(3-keto-2-methyl-4H-1,4-benzothiazine-2-carbonyl)amino]propanoyl]amino]-5-keto-valeric acid Formula: C25H28N4O6S MolecularWeight: 512.57802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)C(CCC(=O)O)C(=O)N)NC(=O)C2(C(=O)NC3=CC=CC=C3S2)C

Isomeric SMILES

CC(C(=O)N(CC1=CC=CC=C1)C(CCC(=O)O)C(=O)N)NC(=O)C2(C(=O)NC3=CC=CC=C3S2)C

InChI

InChI=1S/C25H28N4O6S/c1-15(27-23(34)25(2)24(35)28-17-10-6-7-11-19(17)36-25)22(33)29(14-16-8-4-3-5-9-16)18(21(26)32)12-13-20(30)31/h3-11,15,18H,12-14H2,1-2H3,(H2,26,32)(H,27,34)(H,28,35)(H,30,31)