ORG-30093

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C72H89Cl2N15O13
Molecular Weight	1443.476
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](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CNC4=C3C=CC=C4)NC(=O)[C@@H](CC5=CC=C(Cl)C=C5)NC(=O)[C@@H](CC6=CC=C(Cl)C=C6)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=NNTOZZRGJOVEQQ-KPVNRCNWSA-N

InChI=1S/C72H89Cl2N15O13/c1-40(2)32-54(63(94)82-53(16-10-30-78-72(76)77)71(102)89-31-11-17-61(89)70(101)80-41(3)62(75)93)83-65(96)56(33-43-12-6-5-7-13-43)85-66(97)58(36-46-22-28-50(92)29-23-46)86-69(100)60(39-90)88-68(99)59(37-47-38-79-52-15-9-8-14-51(47)52)87-67(98)57(35-45-20-26-49(74)27-21-45)84-64(95)55(81-42(4)91)34-44-18-24-48(73)25-19-44/h5-9,12-15,18-29,38,40-41,53-61,79,90,92H,10-11,16-17,30-37,39H2,1-4H3,(H2,75,93)(H,80,101)(H,81,91)(H,82,94)(H,83,96)(H,84,95)(H,85,97)(H,86,100)(H,87,98)(H,88,99)(H4,76,77,78)/t41-,53+,54+,55-,56-,57-,58+,59-,60+,61+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C72H89Cl2N15O13
Molecular Weight	1443.476
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 08:35:28 GMT 2023` Edited by `admin` on `Sat Dec 16 08:35:28 GMT 2023`
Record UNII	YJ793BO829
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ORG-30093

Code

English

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

Systematic Name

English

Code System Code Type Description

CAS

78493-58-0

Created by admin on Sat Dec 16 08:35:28 GMT 2023 , Edited by admin on Sat Dec 16 08:35:28 GMT 2023

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EPA CompTox

DTXSID00229118

Created by admin on Sat Dec 16 08:35:28 GMT 2023 , Edited by admin on Sat Dec 16 08:35:28 GMT 2023

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PUBCHEM

16131121

Created by admin on Sat Dec 16 08:35:28 GMT 2023 , Edited by admin on Sat Dec 16 08:35:28 GMT 2023

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FDA UNII

YJ793BO829

Created by admin on Sat Dec 16 08:35:28 GMT 2023 , Edited by admin on Sat Dec 16 08:35:28 GMT 2023

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