(2S)-N-(4-carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-oxo-2-(propylamino)ethyl]amino}acetyl]azetidine-2-carboxamide (Q27462951)

(2s)-N-(4-Carbamimidoylbenzyl)-1-[(2r)-2-Cyclohexyl-2-{[2-Oxo-2-(Propylamino)ethyl]amino} Acetyl]azetidine-2-Carboxamide (English)

19 October 2016

chemical formula

C₂₅H₃₈N₆O₃

1 reference

(2s)-N-(4-Carbamimidoylbenzyl)-1-[(2r)-2-Cyclohexyl-2-{[2-Oxo-2-(Propylamino)ethyl]amino} Acetyl]azetidine-2-Carboxamide (English)

19 October 2016

canonical SMILES

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

1 reference

(2s)-N-(4-Carbamimidoylbenzyl)-1-[(2r)-2-Cyclohexyl-2-{[2-Oxo-2-(Propylamino)ethyl]amino} Acetyl]azetidine-2-Carboxamide (English)

19 October 2016

isomeric SMILES

CCCNC(=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-Carbamimidoylbenzyl)-1-[(2r)-2-Cyclohexyl-2-{[2-Oxo-2-(Propylamino)ethyl]amino} Acetyl]azetidine-2-Carboxamide (English)

InChI=1S/C25H38N6O3/c1-2-13-28-21(32)16-29-22(18-6-4-3-5-7-18)25(34)31-14-12-20(31)24(33)30-15-17-8-10-19(11-9-17)23(26)27/h8-11,18,20,22,29H,2-7,12-16H2,1H3,(H3,26,27)(H,28,32)(H,30,33)/t20-,22+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

(2s)-N-(4-Carbamimidoylbenzyl)-1-[(2r)-2-Cyclohexyl-2-{[2-Oxo-2-(Propylamino)ethyl]amino} Acetyl]azetidine-2-Carboxamide (English)

YEOMROVWVBLQCS-RBBKRZOGSA-N

19 October 2016

InChIKey

1 reference

(2s)-N-(4-Carbamimidoylbenzyl)-1-[(2r)-2-Cyclohexyl-2-{[2-Oxo-2-(Propylamino)ethyl]amino} Acetyl]azetidine-2-Carboxamide (English)

19 October 2016

1 reference

(2S)-N-(4-Carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-oxo-2-(propylamino)ethyl]amino}acetyl]-2-azetidinecarboxamide (English)

19 October 2016

1 reference

(2s)-N-(4-Carbamimidoylbenzyl)-1-[(2r)-2-Cyclohexyl-2-{[2-Oxo-2-(Propylamino)ethyl]amino} Acetyl]azetidine-2-Carboxamide (English)

19 October 2016

1 reference

0 references

1 reference

4BAK (English)