Chemical Compound

(2S)-2-[[4-[2-[2-Amino-6-[(5R)-2-amino-5-[2-[4-[[(1S)-1,3-dicarboxypropyl]carbamoyl]phenyl]ethyl]-4,6-dioxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]amino]pentanedioic acid

CAS Registry Number 1802552-04-0
(2S)-2-[[4-[2-[2-Amino-6-[(5R)-2-amino-5-[2-[4-[[(1S)-1,3-dicarboxypropyl]carbamoyl]phenyl]ethyl]-4,6-dioxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]amino]pentanedioic acid chemical structure
Primary Record

(2S)-2-[[4-[2-[2-Amino-6-[(5R)-2-amino-5-[2-[4-[[(1S)-1,3-dicarboxypropyl]carbamoyl]phenyl]ethyl]-4,6-dioxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]amino]pentanedioic acid

In stock
5,098 g
Purity
98.4 %
CAS
1802552-04-0

Compound Identifiers & Properties

CAS
1802552-04-0
PubChem CID
138111563
SMILES
C1=CC(=CC=C1CCC2=C(NC3=C2C(=O)NC(=N3)N)[C@]4(C5=C(NC4=O)N=C(NC5=O)N)CCC6=CC=C(C=C6)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)NC(CCC(=O)O)C(=O)O
Canonical SMILES
Nc1nc2c(c(=O)[nH]1)[C@](CCc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)(c1[nH]c3nc(N)[nH]c(=O)c3c1CCc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)C(=O)N2

Names & Synonyms

  • (2S)-2-[[4-[2-[2-Amino-6-[(5R)-2-amino-5-[2-[4-[[(1S)-1,3-dicarboxypropyl]carbamoyl]phenyl]ethyl]-4,6-dioxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]amino]pentanedioic acid
  • 1802552-04-0