methyl N-(4-carbamimidamidobutanoyl)-L-phenylalanyl-L-allothreonyl-L-phenylalaninate (Q27451036)

Methyl N-(4-Carbamimidamidobutanoyl)-L-Phenylalanyl-L-Allothreonyl-L-Phenylalaninate (English)

19 October 2016

chemical formula

C₂₈H₃₈N₆O₆

1 reference

Methyl N-(4-Carbamimidamidobutanoyl)-L-Phenylalanyl-L-Allothreonyl-L-Phenylalaninate (English)

19 October 2016

canonical SMILES

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)C(CC2=CC=CC=C2)NC(=O)CCCN=C(N)N)O

1 reference

Methyl N-(4-Carbamimidamidobutanoyl)-L-Phenylalanyl-L-Allothreonyl-L-Phenylalaninate (English)

19 October 2016

isomeric SMILES

C[C@@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CCCN=C(N)N)O

1 reference

Methyl N-(4-Carbamimidamidobutanoyl)-L-Phenylalanyl-L-Allothreonyl-L-Phenylalaninate (English)

InChI=1S/C28H38N6O6/c1-18(35)24(26(38)33-22(27(39)40-2)17-20-12-7-4-8-13-20)34-25(37)21(16-19-10-5-3-6-11-19)32-23(36)14-9-15-31-28(29)30/h3-8,10-13,18,21-22,24,35H,9,14-17H2,1-2H3,(H,32,36)(H,33,38)(H,34,37)(H4,29,30,31)/t18-,21-,22-,24-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

Methyl N-(4-Carbamimidamidobutanoyl)-L-Phenylalanyl-L-Allothreonyl-L-Phenylalaninate (English)

QKSIUCFYHKTUCL-CKLTXHEASA-N

19 October 2016

InChIKey

1 reference

Methyl N-(4-Carbamimidamidobutanoyl)-L-Phenylalanyl-L-Allothreonyl-L-Phenylalaninate (English)

19 October 2016

1 reference

Methyl N-{4-[(diaminomethylene)amino]butanoyl}-L-phenylalanyl-L-allothreonyl-L-phenylalaninate (English)

19 October 2016

2 references

Methyl N-(4-Carbamimidamidobutanoyl)-L-Phenylalanyl-L-Allothreonyl-L-Phenylalaninate (English)

matched by identifier from

19 October 2016

InChIKey

QKSIUCFYHKTUCL-CKLTXHEASA-N

1 reference

0 references

1 reference

1HDT (English)