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N-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-valyl-L-aspartamide


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Chemical Component Summary

NameN-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-valyl-L-aspartamide
Identifiers[4-[(2R)-2-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxo-butan-2-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoyl]-4-methylamino-4-oxo-butyl]phenyl] dihydrogen phosphate
FormulaC21 H32 N5 O9 P
Molecular Weight529.481
TypeNON-POLYMER
Isomeric SMILESCC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)OP(=O)(O)O)CC(=O)NC
InChIInChI=1S/C21H32N5O9P/c1-11(2)18(21(31)25-15(19(23)29)10-16(22)27)26-20(30)13(9-17(28)24-3)8-12-4-6-14(7-5-12)35-36(32,33)34/h4-7,11,13,15,18H,8-10H2,1-3H3,(H2,22,27)(H2,23,29)(H,24,28)(H,25,31)(H,26,30)(H2,32,33,34)/t13-,15+,18+/m1/s1
InChIKeyCCEFGGFBPGVHRR-XUWXXGDYSA-N

Chemical Details

Formal Charge0
Atom Count68
Chiral Atom Count3
Bond Count68
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 9547991