Catalog Number:
AG00ILYT
Chemical Name:
6-Pteridinepropanoicacid,2,4-diamino-α-(4-carboxyphenyl)-α-2-propyn-1-yl-(N-cyclohexylcyclohexanamine)
CAS Number:
1548618-54-7
Molecular Formula:
C43H62N8O4
Molecular Weight:
755.0036
MDL Number:
MFCD30533219
IUPAC Name:
4-[2-carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoic acid;N-cyclohexylcyclohexanamine
InChI:
InChI=1S/C19H16N6O4.2C12H23N/c1-2-7-19(17(28)29,11-5-3-10(4-6-11)16(26)27)8-12-9-22-15-13(23-12)14(20)24-18(21)25-15;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-6,9H,7-8H2,(H,26,27)(H,28,29)(H4,20,21,22,24,25);2*11-13H,1-10H2
InChI Key:
WQQFSPDVYMWKEY-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.C1CCC(CC1)NC1CCCCC1.C#CCC(c1ccc(cc1)C(=O)O)(C(=O)O)Cc1cnc2c(n1)c(N)nc(n2)N
