ORF-21243

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C73H97ClN18O14
Molecular Weight	1486.116
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(C=C1)C(=O)CC[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@@H](CC2=CC=CN=C2)NC(=O)[C@@H](CC3=CC=C(Cl)C=C3)NC(=O)[C@@H](CC4=CC5=CC=CC=C5C=C4)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N6CCC[C@H]6C(=O)N[C@H](C)C(N)=O

InChI

InChIKey=UFOMLGCSEHLELA-YKJOSNDESA-N

InChI=1S/C73H97ClN18O14/c1-41(2)34-55(65(99)87-54(16-10-32-82-73(78)79)71(105)92-33-11-17-60(92)70(104)83-42(3)62(75)96)88-64(98)53(28-29-61(95)48-22-26-51(106-5)27-23-48)86-63(97)52(15-9-31-81-72(76)77)85-69(103)59(40-93)91-68(102)58(38-46-12-8-30-80-39-46)90-67(101)57(36-44-19-24-50(74)25-20-44)89-66(100)56(84-43(4)94)37-45-18-21-47-13-6-7-14-49(47)35-45/h6-8,12-14,18-27,30,35,39,41-42,52-60,93H,9-11,15-17,28-29,31-34,36-38,40H2,1-5H3,(H2,75,96)(H,83,104)(H,84,94)(H,85,103)(H,86,97)(H,87,99)(H,88,98)(H,89,100)(H,90,101)(H,91,102)(H4,76,77,81)(H4,78,79,82)/t42-,52+,53-,54+,55+,56-,57-,58-,59+,60+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C73H97ClN18O14
Molecular Weight	1486.116
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 08:39:45 GMT 2023` Edited by `admin` on `Sat Dec 16 08:39:45 GMT 2023`
Record UNII	MBN67MH99I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ORF-21243

Code

English

D-ALANINAMIDE, N-ACETYL-3-(2-NAPHTHALENYL)-D-ALANYL-4-CHLORO-D-PHENYLALANYL-3-(3-PYRIDINYL)-D-ALANYL-L-SERYL-L-ARGINYL-5-(4-METHOXYPHENYL)-5-OXO-D-NORVALYL-L-LEUCYL-L-ARGINYL-L-PROLYL-

Common Name

English

Code System Code Type Description

PUBCHEM

16131158

Created by admin on Sat Dec 16 08:39:45 GMT 2023 , Edited by admin on Sat Dec 16 08:39:45 GMT 2023

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FDA UNII

MBN67MH99I

Created by admin on Sat Dec 16 08:39:45 GMT 2023 , Edited by admin on Sat Dec 16 08:39:45 GMT 2023

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CAS

103733-02-4

Created by admin on Sat Dec 16 08:39:45 GMT 2023 , Edited by admin on Sat Dec 16 08:39:45 GMT 2023

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EPA CompTox

DTXSID60146034

Created by admin on Sat Dec 16 08:39:45 GMT 2023 , Edited by admin on Sat Dec 16 08:39:45 GMT 2023

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