Chemical Component Summary

NameN-(4-fluorobenzoyl)-L-gamma-glutamyl-O-[(S)-{[(1S)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-L-serine
Identifiers(2S)-2-[[[(2S)-2-[[(4S)-4-[(4-fluorophenyl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl]amino]pentanedioic acid
FormulaC20 H25 F N3 O13 P
Molecular Weight565.397
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F
InChIInChI=1S/C20H25FN3O13P/c21-11-3-1-10(2-4-11)17(28)23-12(18(29)30)5-7-15(25)22-14(20(33)34)9-37-38(35,36)24-13(19(31)32)6-8-16(26)27/h1-4,12-14H,5-9H2,(H,22,25)(H,23,28)(H,26,27)(H,29,30)(H,31,32)(H,33,34)(H2,24,35,36)/t12-,13-,14-/m0/s1
InChIKeyMVGKQICKXWWQHS-IHRRRGAJSA-N

Chemical Details

Formal Charge0
Atom Count63
Chiral Atom Count3
Bond Count63
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 73386646