2-[[(4S)-4-Carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoy l]amino]butyl]carbamoyl]benzoic acid

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Catalog Number
ACM113857877
Product Name
2-[[(4S)-4-Carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoy l]amino]butyl]carbamoyl]benzoic acid
Structure
Structure
CAS
113857-87-7
Category
Heterocyclic Organic Compound
Synonyms
2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoy l]amino]butyl]carbamoyl]benzoic acid;N(alpha)-(4-amino-4-deoxypteroyl)-N(delta)-hemiphthaloyl-L-ornithine;(S)-2-[4-[(2,4-Diaminopteridin-6-yl)methylamino]benzoylamino]-5-(2-carboxyben
IUPAC Name
2-[[4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentyl]carbamoyl]benzoic acid
Molecular Weight
573.559980 [g/mol]
Molecular Formula
C27H27N9O6
Canonical SMILES
C1=CC=C(C(=C1)C(=O)NCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)O
InChI Key
NYQPLPNEESYGNO-UHFFFAOYSA-N
Density
1.51g/cm³
Exact Mass
573.20800
H-Bond Acceptor
13
H-Bond Donor
7
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