nepadutant (Q18746342)

CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H]1CNC(=O)C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(=O)N[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)N

1 reference

stated in

PubChem

PubChem CID

3086682

language of work or name

English

title

Nepadutant (English)

retrieved

3 October 2016

physically interacts with

Tachykinin receptor 2

subject has role

antagonist

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

2123

language of work or name

English

retrieved

17 August 2016

Identifiers

InChI

InChI=1S/C45H60N10O14/c1-21(2)13-31(45(67)68)53-43(66)32-19-48-34(58)17-30(50-39(62)26(46)16-35(59)55-44-36(49-22(3)57)38(61)37(60)33(20-56)69-44)42(65)52-29(15-24-18-47-27-12-8-7-11-25(24)27)41(64)51-28(40(63)54-32)14-23-9-5-4-6-10-23/h4-12,18,21,26,28-33,36-38,44,47,56,60-61H,13-17,19-20,46H2,1-3H3,(H,48,58)(H,49,57)(H,50,62)(H,51,64)(H,52,65)(H,53,66)(H,54,63)(H,55,59)(H,67,68)/t26-,28-,29-,30-,31-,32-,33+,36+,37+,38+,44+/m0/s1

1 reference

based on heuristic

inferred from SMILES

InChIKey

NPSVXOVMLVOMDD-SXRVEDALSA-N

1 reference

language of work or name

Nepadutant (English)

3 October 2016

1 reference

imported from Wikimedia project

1 reference

language of work or name

English

title

(2S)-2-({[(3S,6S,9S,12S)-12-{[(2S)-4-{[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}-2-amino-4-oxobutanoyl]amino}-6-benzyl-9-(1H-indol-3-ylmethyl)-5,8,11, (English)

3 October 2016

2 references

language of work or name

English

title