ORG-30276

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C69H91Cl2N17O14
Molecular Weight	1453.472
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](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=CC=C(Cl)C=C5)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N6CCC[C@H]6C(=O)N[C@H](C)C(O)=O

InChI

InChIKey=PHOQLWOIWDIYFR-WUCXBFDXSA-N

InChI=1S/C69H91Cl2N17O14/c1-37(2)30-51(59(93)82-50(13-8-28-77-69(74)75)66(100)88-29-9-14-57(88)65(99)79-38(3)67(101)102)83-58(92)49(12-7-27-76-68(72)73)81-61(95)53(33-42-19-25-46(91)26-20-42)85-64(98)56(36-89)87-63(97)55(34-43-35-78-48-11-6-5-10-47(43)48)86-62(96)54(32-41-17-23-45(71)24-18-41)84-60(94)52(80-39(4)90)31-40-15-21-44(70)22-16-40/h5-6,10-11,15-26,35,37-38,49-57,78,89,91H,7-9,12-14,27-34,36H2,1-4H3,(H,79,99)(H,80,90)(H,81,95)(H,82,93)(H,83,92)(H,84,94)(H,85,98)(H,86,96)(H,87,97)(H,101,102)(H4,72,73,76)(H4,74,75,77)/t38-,49-,50+,51+,52-,53+,54-,55-,56+,57+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C69H91Cl2N17O14
Molecular Weight	1453.472
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 11:08:25 GMT 2023` Edited by `admin` on `Sat Dec 16 11:08:25 GMT 2023`
Record UNII	D0NOF0ET2C
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ORG-30276

Code

English

D-ALANINE, N-ACETYL-4-CHLORO-D-PHENYLALANYL-4-CHLORO-D-PHENYLALANYL-D-TRYPTOPHYL-L-SERYL-L-TYROSYL-D-ARGINYL-L-LEUCYL-L-ARGINYL-L-PROLYL-

Systematic Name

English

APTAA-LHRH

Common Name

English

Code System Code Type Description

CAS

83539-08-6

Created by admin on Sat Dec 16 11:08:25 GMT 2023 , Edited by admin on Sat Dec 16 11:08:25 GMT 2023

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EPA CompTox

DTXSID10232431

Created by admin on Sat Dec 16 11:08:25 GMT 2023 , Edited by admin on Sat Dec 16 11:08:25 GMT 2023

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PUBCHEM

25074888

Created by admin on Sat Dec 16 11:08:25 GMT 2023 , Edited by admin on Sat Dec 16 11:08:25 GMT 2023

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FDA UNII

D0NOF0ET2C

Created by admin on Sat Dec 16 11:08:25 GMT 2023 , Edited by admin on Sat Dec 16 11:08:25 GMT 2023

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