(Q27122183)

3eig (English)

6 October 2016

C₂₀H₂₀N₈O₅²⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-]

1 reference

3eig (English)

6 October 2016

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]

1 reference

3eig (English)

InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/p-2/t13-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

FBOZXECLQNJBKD-ZDUSSCGKSA-L

3eig (English)

6 October 2016

2 references

3eig (English)

6 October 2016

ChEBI release 2020-09-01

1 reference

(2S)-2-[(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]pentanedioate (English)

6 October 2016

2 references

3eig (English)

matched by identifier from

6 October 2016

InChIKey

FBOZXECLQNJBKD-ZDUSSCGKSA-L

Reaxys registry number

6081035

1 reference

methotrexate(2-) (English)

6 October 2016

ChEBI ID

50681

mapping relation type

2 references

methotrexate(2-) (English)