methyl-3-(4'-N-oxopyridylphenoyl)-3-methyl-2-(m-amidinobenzyl)-propionate (Q27460471)

AC1O43PU (English)

19 October 2016

C₂₅H₂₇N₄O₄⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C(CC1=CC=CC(=C1)C(=[NH2+])N)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CC=[N+](C=C3)[O-]

1 reference

AC1O43PU (English)

19 October 2016

C[C@H]([C@@H](CC1=CC=CC(=C1)C(=[NH2+])N)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CC=[N+](C=C3)[O-]

1 reference

InChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30)/p+1/t16-,22-/m1/s1

AC1O43PU (English)

retrieved

19 October 2016

Identifiers

InChI

1 reference

PFGVNLZDWRZPJW-OPAMFIHVSA-O

AC1O43PU (English)

19 October 2016

1 reference

AC1O43PU (English)

19 October 2016

1 reference

Amino{3-[(2R,3R)-2-(methoxycarbonyl)-3-{[4-(1-oxido-4-pyridinyl)benzoyl]amino}butyl]phenyl}methaniminium (English)

19 October 2016

2 references

matched by identifier from

AC1O43PU (English)

retrieved

19 October 2016

InChIKey

PFGVNLZDWRZPJW-OPAMFIHVSA-O

1 reference

0 references

1 reference