(2R)-5-[(3S)-3-[[(4R)-4-acetamido-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-4-[[(2R)-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propan-2-yl]amino]butyl]-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-phenylethanoylamino)ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

Systemtic Name: (2R)-5-[(3S)-3-[[(4R)-4-acetamido-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-4-[[(2R)-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propan-2-yl]amino]butyl]-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-phenylethanoylamino)ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid Openeye Name: (2R)-5-[(3S)-3-[[(4R)-4-acetamido-5-hydroxy-5-oxo-pentanoyl]amino]-4-[[(1R)-2-[[(1R)-2-hydroxy-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-4-oxo-butyl]-2-[(1R)-2-hydroxy-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid CAS Name: (2R)-5-[(3S)-3-[[(4R)-4-acetamido-5-hydroxy-1,5-dioxopentyl]amino]-4-[[(2R)-1-[[(2R)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutyl]-2-[(1R)-2-hydroxy-2-oxo-1-[(1-oxo-2-phenylethyl)amino]ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid IUPAC Name: (2R)-5-[(3S)-3-[[(4R)-4-acetamido-5-hydroxy-5-oxopentanoyl]amino]-4-[[(2R)-1-[[(2R)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutyl]-2-[(1R)-2-hydroxy-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid Traditional Name: (2R)-5-[(3S)-3-[[(4R)-4-acetamido-5-hydroxy-5-keto-pentanoyl]amino]-4-[[(1R)-2-[[(1R)-2-hydroxy-2-keto-1-methyl-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-4-keto-butyl]-2-[(1R)-2-hydroxy-2-keto-1-[(2-phenylacetyl)amino]ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid Formula: C32H42N6O13S MolecularWeight: 750.77328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)O)NC(=O)C(CCC1=C(NC(SC1)C(C(=O)O)NC(=O)CC2=CC=CC=C2)C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)C

Isomeric SMILES

C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CCC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)CC2=CC=CC=C2)C(=O)O)NC(=O)CC[C@H](C(=O)O)NC(=O)C

InChI

InChI=1S/C32H42N6O13S/c1-15(26(42)34-16(2)29(44)45)33-27(43)20(36-22(40)12-11-21(30(46)47)35-17(3)39)10-9-19-14-52-28(38-24(19)31(48)49)25(32(50)51)37-23(41)13-18-7-5-4-6-8-18/h4-8,15-16,20-21,25,28,38H,9-14H2,1-3H3,(H,33,43)(H,34,42)(H,35,39)(H,36,40)(H,37,41)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/t15-,16-,20+,21-,25+,28-/m1/s1