N-(2S-TETRAHYDROFUROYL)GLY-3-(2-NAPTHYL)D-ALA-(4-CHLORO)D-PHE-(3-PYRIDYL)D-ALA-SER-(N-METHYL)TYR-(N-E-NICOTINYL)D-LYS-LEU-(N-E-ISOPROPYL)LYS-PRO-D-ALA AMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C85H111ClN16O16
Molecular Weight	1648.341
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(2S-TETRAHYDROFUROYL)GLY-3-(2-NAPTHYL)D-ALA-(4-CHLORO)D-PHE-(3-PYRIDYL)D-ALA-SER-(N-METHYL)TYR-(N-E-NICOTINYL)D-LYS-LEU-(N-E-ISOPROPYL)LYS-PRO-D-ALA AMIDE

Structure Search

SMILES

CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)C1=CN=CC=C1)NC(=O)[C@H](CC2=CC=C(O)C=C2)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(Cl)C=C4)NC(=O)[C@@H](CC5=CC6=C(C=CC=C6)C=C5)NC(=O)CNC(=O)[C@@H]7CCCO7)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N8CCC[C@H]8C(=O)N[C@H](C)C(N)=O

InChI

InChIKey=MQLORYPVGVCPGQ-VYALOENWSA-N

InChI=1S/C85H111ClN16O16/c1-51(2)41-65(77(109)96-64(22-10-11-37-90-52(3)4)85(117)102-39-15-23-70(102)81(113)93-53(5)74(87)106)97-76(108)63(21-9-12-38-91-75(107)60-20-14-36-89-48-60)95-82(114)71(46-55-28-33-62(104)34-29-55)101(6)84(116)69(50-103)100-80(112)68(45-57-17-13-35-88-47-57)99-79(111)67(43-54-26-31-61(86)32-27-54)98-78(110)66(44-56-25-30-58-18-7-8-19-59(58)42-56)94-73(105)49-92-83(115)72-24-16-40-118-72/h7-8,13-14,17-20,25-36,42,47-48,51-53,63-72,90,103-104H,9-12,15-16,21-24,37-41,43-46,49-50H2,1-6H3,(H2,87,106)(H,91,107)(H,92,115)(H,93,113)(H,94,105)(H,95,114)(H,96,109)(H,97,108)(H,98,110)(H,99,111)(H,100,112)/t53-,63-,64+,65+,66-,67-,68-,69+,70+,71+,72+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C85H111ClN16O16
Molecular Weight	1648.341
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:31:45 GMT 2023` Edited by `admin` on `Sat Dec 16 18:31:45 GMT 2023`
Record UNII	38TU9Z9EG9
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

N-(2S-TETRAHYDROFUROYL)GLY-3-(2-NAPTHYL)D-ALA-(4-CHLORO)D-PHE-(3-PYRIDYL)D-ALA-SER-(N-METHYL)TYR-(N-E-NICOTINYL)D-LYS-LEU-(N-E-ISOPROPYL)LYS-PRO-D-ALA AMIDE

Common Name

English

D-ALANINAMIDE, N-(((2S)-TETRAHYDRO-2-FURANYL)CARBONYL)GLYCYL-3-(2-NAPHTHALENYL)-D-ALANYL-4-CHLORO-D-PHENYLALANYL-3-(3-PYRIDINYL)-D-ALANYL-L-SERYL-N-METHYL-L-TYROSYL-N6-(3-PYRIDINYLCARBONYL)-D-LYSYL-L-LEUCYL-N6-(1-METHYLETHYL)-L-LYSYL-L-PROLYL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

100970709

Created by admin on Sat Dec 16 18:31:45 GMT 2023 , Edited by admin on Sat Dec 16 18:31:45 GMT 2023

PRIMARY

FDA UNII

38TU9Z9EG9

Created by admin on Sat Dec 16 18:31:45 GMT 2023 , Edited by admin on Sat Dec 16 18:31:45 GMT 2023

PRIMARY

CAS

168395-24-2

Created by admin on Sat Dec 16 18:31:45 GMT 2023 , Edited by admin on Sat Dec 16 18:31:45 GMT 2023

PRIMARY