(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]-4-carboxy-2-[(1R)-2-oxidanylidene-1-(2-phenylethanoylamino)ethyl]-3,6-dihydro-2H-1,3-thiazin-6-olate

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]-4-carboxy-2-[(1R)-2-oxidanylidene-1-(2-phenylethanoylamino)ethyl]-3,6-dihydro-2H-1,3-thiazin-6-olate 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]-4-carboxy-2-[(1R)-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-3,6-dihydro-2H-1,3-thiazin-6-olate 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]-4-carboxy-2-[(1R)-2-oxo-1-[(1-oxo-2-phenylethyl)amino]ethyl]-3,6-dihydro-2H-1,3-thiazin-6-olate 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]-4-carboxy-2-[(1R)-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-3,6-dihydro-2H-1,3-thiazin-6-olate 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]-4-carboxy-2-[(1R)-2-keto-1-[(2-phenylacetyl)amino]ethyl]-3,6-dihydro-2H-1,3-thiazin-6-olate Formula: C32H41N6O13S- MolecularWeight: 749.76534

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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[O-])C(C=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[O-])[C@@H](C=O)NC(=O)CC2=CC=CC=C2)C(=O)O)NC(=O)CC[C@H](C(=O)O)NC(=O)C

InChI

InChI=1S/C32H41N6O13S/c1-15(26(43)34-16(2)29(45)46)33-27(44)20(36-23(41)12-11-21(30(47)48)35-17(3)40)10-9-19-25(31(49)50)38-28(52-32(19)51)22(14-39)37-24(42)13-18-7-5-4-6-8-18/h4-8,14-16,20-22,28,32,38H,9-13H2,1-3H3,(H,33,44)(H,34,43)(H,35,40)(H,36,41)(H,37,42)(H,45,46)(H,47,48)(H,49,50)/q-1/t15-,16-,20+,21-,22-,28-,32?/m1/s1