2F7

N-(4-fluorobenzoyl)-L-alloisoleucyl-O-[(S)-{[(1S)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-L-serine


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Chemical Component Summary

NameN-(4-fluorobenzoyl)-L-alloisoleucyl-O-[(S)-{[(1S)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-L-serine
Identifiers(2S)-2-[[[(2S)-2-[[(2S,3R)-2-[(4-fluorophenyl)carbonylamino]-3-methyl-pentanoyl]amino]-3-oxidanyl-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl]amino]pentanedioic acid
FormulaC21 H29 F N3 O11 P
Molecular Weight549.441
TypeNON-POLYMER
Isomeric SMILESCC[C@@H](C)[C@@H](C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)NC(=O)c1ccc(cc1)F
InChIInChI=1S/C21H29FN3O11P/c1-3-11(2)17(24-18(28)12-4-6-13(22)7-5-12)19(29)23-15(21(32)33)10-36-37(34,35)25-14(20(30)31)8-9-16(26)27/h4-7,11,14-15,17H,3,8-10H2,1-2H3,(H,23,29)(H,24,28)(H,26,27)(H,30,31)(H,32,33)(H2,25,34,35)/t11-,14+,15+,17+/m1/s1
InChIKeyRRPCLWZKRJZYQY-ZUFFMMDNSA-N

Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count4
Bond Count66
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 91757941