[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE (Q27097168)

[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE (English)

19 October 2016

chemical formula

C₂₂H₃₆N₅O₄S⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1CCC(CC1)S(=O)(=O)NCC(=O)NC(CCNC2=CC=[NH+]C=C2)C(=O)N3CCCCC3

1 reference

[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE (English)

19 October 2016

isomeric SMILES

C1CCC(CC1)S(=O)(=O)NCC(=O)N[C@H](CCNC2=CC=[NH+]C=C2)C(=O)N3CCCCC3

1 reference

[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE (English)

InChI=1S/C22H35N5O4S/c28-21(17-25-32(30,31)19-7-3-1-4-8-19)26-20(22(29)27-15-5-2-6-16-27)11-14-24-18-9-12-23-13-10-18/h9-10,12-13,19-20,25H,1-8,11,14-17H2,(H,23,24)(H,26,28)/p+1/t20-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE (English)

KMUXFASJKPVMGU-HXUWFJFHSA-O

19 October 2016

InChIKey

1 reference

[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE (English)

19 October 2016

1 reference

N~2~-(Cyclohexylsulfonyl)-N-[(2R)-1-oxo-1-(1-piperidinyl)-4-(4-pyridiniumylamino)-2-butanyl]glycinamide (English)

19 October 2016

2 references

[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE (English)

matched by identifier from

19 October 2016

InChIKey

KMUXFASJKPVMGU-HXUWFJFHSA-O

1 reference

1 reference

matched by identifier from

InChIKey

KMUXFASJKPVMGU-HXUWFJFHSA-O

0 references

0 references

1 reference

1UVS (English)