(S)-3-(3-(4-(2-guanidinoethyl)piperidin-1-yl)-2-(naphthalene-2-sulfonamido)-3-oxopropyl)benzimidamide (Q27456644)

(S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN-1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)-3-OXOPROPYL)BENZIMIDAMIDE (English)

19 October 2016

chemical formula

C₂₈H₃₅N₇O₃S

1 reference

(S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN-1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)-3-OXOPROPYL)BENZIMIDAMIDE (English)

19 October 2016

canonical SMILES

C1CN(CCC1CCN=C(N)N)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

1 reference

(S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN-1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)-3-OXOPROPYL)BENZIMIDAMIDE (English)

19 October 2016

isomeric SMILES

C1CN(CCC1CCN=C(N)N)C(=O)[C@H](CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

1 reference

(S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN-1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)-3-OXOPROPYL)BENZIMIDAMIDE (English)

InChI=1S/C28H35N7O3S/c29-26(30)23-7-3-4-20(16-23)17-25(27(36)35-14-11-19(12-15-35)10-13-33-28(31)32)34-39(37,38)24-9-8-21-5-1-2-6-22(21)18-24/h1-9,16,18-19,25,34H,10-15,17H2,(H3,29,30)(H4,31,32,33)/t25-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

(S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN-1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)-3-OXOPROPYL)BENZIMIDAMIDE (English)

BKOKSJAQZJNVPN-VWLOTQADSA-N

19 October 2016

InChIKey

1 reference

(S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN-1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)-3-OXOPROPYL)BENZIMIDAMIDE (English)

19 October 2016

1 reference

3-{(2S)-3-[4-(2-Carbamimidamidoethyl)-1-piperidinyl]-2-[(2-naphthylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamide (English)

19 October 2016

2 references

(S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN-1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)-3-OXOPROPYL)BENZIMIDAMIDE (English)

matched by identifier from

19 October 2016

InChIKey

BKOKSJAQZJNVPN-VWLOTQADSA-N

1 reference

CHEMBL210771 (English)

19 October 2016

1 reference

0 references

1 reference

2GV6 (English)