N-ACETYL-3-(2-NAPHTHALENYL)-D-ALANYL-4-CHLORO-D-PHENYLALANYL-D-TRYPTOPHYL-L-SERYL-L-TYROSYL-D-ARGINYL-L-LEUCYL-L-ARGINYL-L-PROLYL-D-ALANINAMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C73H95ClN18O13
Molecular Weight	1468.101
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-ACETYL-3-(2-NAPHTHALENYL)-D-ALANYL-4-CHLORO-D-PHENYLALANYL-D-TRYPTOPHYL-L-SERYL-L-TYROSYL-D-ARGINYL-L-LEUCYL-L-ARGINYL-L-PROLYL-D-ALANINAMIDE

Structure Search

SMILES

CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](CC4=CC=C(Cl)C=C4)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N7CCC[C@H]7C(=O)N[C@H](C)C(N)=O

InChI

InChIKey=JXMOHODZIZFJSB-OZBKNRPLSA-N

InChI=1S/C73H95ClN18O13/c1-40(2)32-55(64(98)86-54(17-10-30-81-73(78)79)71(105)92-31-11-18-61(92)70(104)83-41(3)62(75)96)87-63(97)53(16-9-29-80-72(76)77)85-66(100)57(35-44-22-27-50(95)28-23-44)89-69(103)60(39-93)91-68(102)59(37-48-38-82-52-15-8-7-14-51(48)52)90-67(101)58(34-43-20-25-49(74)26-21-43)88-65(99)56(84-42(4)94)36-45-19-24-46-12-5-6-13-47(46)33-45/h5-8,12-15,19-28,33,38,40-41,53-61,82,93,95H,9-11,16-18,29-32,34-37,39H2,1-4H3,(H2,75,96)(H,83,104)(H,84,94)(H,85,100)(H,86,98)(H,87,97)(H,88,99)(H,89,103)(H,90,101)(H,91,102)(H4,76,77,80)(H4,78,79,81)/t41-,53-,54+,55+,56-,57+,58-,59-,60+,61+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C73H95ClN18O13
Molecular Weight	1468.101
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 12:10:04 GMT 2023` Edited by `admin` on `Sat Dec 16 12:10:04 GMT 2023`
Record UNII	N064T5O4J6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

N-ACETYL-3-(2-NAPHTHALENYL)-D-ALANYL-4-CHLORO-D-PHENYLALANYL-D-TRYPTOPHYL-L-SERYL-L-TYROSYL-D-ARGINYL-L-LEUCYL-L-ARGINYL-L-PROLYL-D-ALANINAMIDE

Common Name

English

D-ALANINAMIDE, N-ACETYL-3-(2-NAPHTHALENYL)-D-ALANYL-4-CHLORO-D-PHENYLALANYL-D-TRYPTOPHYL-L-SERYL-L-TYROSYL-D-ARGINYL-L-LEUCYL-L-ARGINYL-L-PROLYL-

Common Name

English

Code System Code Type Description

FDA UNII

N064T5O4J6

Created by admin on Sat Dec 16 12:10:04 GMT 2023 , Edited by admin on Sat Dec 16 12:10:04 GMT 2023

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CAS

86044-77-1

Created by admin on Sat Dec 16 12:10:04 GMT 2023 , Edited by admin on Sat Dec 16 12:10:04 GMT 2023

PRIMARY

EPA CompTox

DTXSID70235362

Created by admin on Sat Dec 16 12:10:04 GMT 2023 , Edited by admin on Sat Dec 16 12:10:04 GMT 2023

PRIMARY

PUBCHEM

16172962

Created by admin on Sat Dec 16 12:10:04 GMT 2023 , Edited by admin on Sat Dec 16 12:10:04 GMT 2023

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