A-84861

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C82H106ClN15O14
Molecular Weight	1561.264
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)C1=CC=CN=C1)NC(=O)[C@H](CC2=CC=C(O)C=C2)N(C)C(=O)[C@@H](CC3=CC=CN=C3)NC(=O)[C@@H](CC4=CC=C(Cl)C=C4)NC(=O)[C@@H](CC5=CC=C6C=CC=CC6=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=AZGOOWRLJRVTTK-SNAYMQCUSA-N

InChI=1S/C82H106ClN15O14/c1-50(2)41-64(75(104)93-63(22-10-11-37-87-51(3)4)82(111)98-39-15-23-68(98)78(107)90-52(5)72(84)101)94-74(103)62(21-9-12-38-88-73(102)59-20-14-36-86-48-59)92-79(108)69(46-54-28-33-61(99)34-29-54)97(6)81(110)67(45-56-17-13-35-85-47-56)96-77(106)66(43-53-26-31-60(83)32-27-53)95-76(105)65(44-55-25-30-57-18-7-8-19-58(57)42-55)91-71(100)49-89-80(109)70-24-16-40-112-70/h7-8,13-14,17-20,25-36,42,47-48,50-52,62-70,87,99H,9-12,15-16,21-24,37-41,43-46,49H2,1-6H3,(H2,84,101)(H,88,102)(H,89,109)(H,90,107)(H,91,100)(H,92,108)(H,93,104)(H,94,103)(H,95,105)(H,96,106)/t52-,62-,63+,64+,65-,66-,67-,68+,69+,70+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C82H106ClN15O14
Molecular Weight	1561.264
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:00:06 GMT 2023` Edited by `admin` on `Sat Dec 16 11:00:06 GMT 2023`
Record UNII	VDZ8723T9T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

A-84861

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-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

FDA UNII

VDZ8723T9T

Created by admin on Sat Dec 16 11:00:06 GMT 2023 , Edited by admin on Sat Dec 16 11:00:06 GMT 2023

PRIMARY

CAS

428438-55-5

Created by admin on Sat Dec 16 11:00:06 GMT 2023 , Edited by admin on Sat Dec 16 11:00:06 GMT 2023

PRIMARY

PUBCHEM

71587731

Created by admin on Sat Dec 16 11:00:06 GMT 2023 , Edited by admin on Sat Dec 16 11:00:06 GMT 2023

PRIMARY

Related Record Type Details


					VDZ8723T9T

A-84861

ACTIVE MOIETY