4OV

(2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid


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Chemical Component Summary

Name(2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Identifiers(2R)-2-[(1R)-2-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy]-1-[[(2R)-2-azanyl-2-phenyl-ethanoyl]amino]-2-oxidanylidene-ethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
FormulaC19 H24 N4 O7 S
Molecular Weight452.481
TypeL-PEPTIDE LINKING
Isomeric SMILESCC1=C(N[C@H](SC1)[C@@H](C(=O)OC[C@@H](C(=O)O)N)NC(=O)[C@@H](c2ccccc2)N)C(=O)O
InChIInChI=1S/C19H24N4O7S/c1-9-8-31-16(23-13(9)18(27)28)14(19(29)30-7-11(20)17(25)26)22-15(24)12(21)10-5-3-2-4-6-10/h2-6,11-12,14,16,23H,7-8,20-21H2,1H3,(H,22,24)(H,25,26)(H,27,28)/t11-,12+,14-,16+/m0/s1
InChIKeyMDWSKJLKCDZDJQ-CQJJVWNLSA-N

Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count4
Bond Count56
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 137348272