4-[(N-{[2-(3-methoxyphenoxy)-6-(piperidin-1-yl)phenyl]methyl}carbamimidoyl)carbamoyl]-L-phenylalanine (Q27456396)

SCHEMBL16793095 (English)

19 October 2016

chemical formula

C₃₀H₃₅N₅O₅

1 reference

SCHEMBL16793095 (English)

19 October 2016

canonical SMILES

COC1=CC=CC(=C1)OC2=CC=CC(=C2CN=C(N)NC(=O)C3=CC=C(C=C3)CC(C(=O)O)N)N4CCCCC4

1 reference

SCHEMBL16793095 (English)

19 October 2016

isomeric SMILES

COC1=CC=CC(=C1)OC2=CC=CC(=C2CN=C(N)NC(=O)C3=CC=C(C=C3)C[C@@H](C(=O)O)N)N4CCCCC4

1 reference

SCHEMBL16793095 (English)

InChI=1S/C30H35N5O5/c1-39-22-7-5-8-23(18-22)40-27-10-6-9-26(35-15-3-2-4-16-35)24(27)19-33-30(32)34-28(36)21-13-11-20(12-14-21)17-25(31)29(37)38/h5-14,18,25H,2-4,15-17,19,31H2,1H3,(H,37,38)(H3,32,33,34,36)/t25-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

SCHEMBL16793095 (English)

UDMPHIGEFLMAIW-VWLOTQADSA-N

19 October 2016

InChIKey

1 reference

SCHEMBL16793095 (English)

19 October 2016

2 references

SCHEMBL16793095 (English)

matched by identifier from

19 October 2016

InChIKey

UDMPHIGEFLMAIW-VWLOTQADSA-N

1 reference

0 references

1 reference

5J6D (English)