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

CAS

113857-87-7

Catalog Number

ACM113857877

Category

Other Products

Molecular Weight

573.559980 [g/mol]

Molecular Formula

C₂₇H₂₇N₉O₆

MSDS COA Spec Sheet

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Specification

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

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

H-Bond Donor