(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide (Q27462960)

(2s)-N-[(4-Carbamimidoylphenyl)methyl]-1-[(2r)-2-Cyclohexyl-2-[[2-(Methylamino)-2-Oxidanylidene-Ethyl]amino]ethanoyl]azetidine-2-Carboxamide (English)

19 October 2016

chemical formula

C₂₃H₃₄N₆O₃

1 reference

(2s)-N-[(4-Carbamimidoylphenyl)methyl]-1-[(2r)-2-Cyclohexyl-2-[[2-(Methylamino)-2-Oxidanylidene-Ethyl]amino]ethanoyl]azetidine-2-Carboxamide (English)

19 October 2016

canonical SMILES

CNC(=O)CNC(C1CCCCC1)C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C(=N)N

1 reference

(2s)-N-[(4-Carbamimidoylphenyl)methyl]-1-[(2r)-2-Cyclohexyl-2-[[2-(Methylamino)-2-Oxidanylidene-Ethyl]amino]ethanoyl]azetidine-2-Carboxamide (English)

19 October 2016

isomeric SMILES

CNC(=O)CN[C@H](C1CCCCC1)C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)C(=N)N

1 reference

(2s)-N-[(4-Carbamimidoylphenyl)methyl]-1-[(2r)-2-Cyclohexyl-2-[[2-(Methylamino)-2-Oxidanylidene-Ethyl]amino]ethanoyl]azetidine-2-Carboxamide (English)

InChI=1S/C23H34N6O3/c1-26-19(30)14-27-20(16-5-3-2-4-6-16)23(32)29-12-11-18(29)22(31)28-13-15-7-9-17(10-8-15)21(24)25/h7-10,16,18,20,27H,2-6,11-14H2,1H3,(H3,24,25)(H,26,30)(H,28,31)/t18-,20+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

(2s)-N-[(4-Carbamimidoylphenyl)methyl]-1-[(2r)-2-Cyclohexyl-2-[[2-(Methylamino)-2-Oxidanylidene-Ethyl]amino]ethanoyl]azetidine-2-Carboxamide (English)

SDEUQAIXWAGFLP-AZUAARDMSA-N

19 October 2016

InChIKey

1 reference

(2s)-N-[(4-Carbamimidoylphenyl)methyl]-1-[(2r)-2-Cyclohexyl-2-[[2-(Methylamino)-2-Oxidanylidene-Ethyl]amino]ethanoyl]azetidine-2-Carboxamide (English)

19 October 2016

1 reference

(2S)-N-(4-Carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-(methylamino)-2-oxoethyl]amino}acetyl]-2-azetidinecarboxamide (English)

19 October 2016

2 references

(2s)-N-[(4-Carbamimidoylphenyl)methyl]-1-[(2r)-2-Cyclohexyl-2-[[2-(Methylamino)-2-Oxidanylidene-Ethyl]amino]ethanoyl]azetidine-2-Carboxamide (English)