DIACETYLSPLENOPENTIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H55N9O11
Molecular Weight	777.8649
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O

InChI

InChIKey=KSWRINCJIKCVPA-RRUDZPKISA-N

InChI=1S/C35H55N9O11/c1-19(2)29(33(53)43-27(34(54)55)18-22-10-12-23(47)13-11-22)44-32(52)26(14-15-28(48)49)42-31(51)25(8-5-6-16-38-20(3)45)41-30(50)24(40-21(4)46)9-7-17-39-35(36)37/h10-13,19,24-27,29,47H,5-9,14-18H2,1-4H3,(H,38,45)(H,40,46)(H,41,50)(H,42,51)(H,43,53)(H,44,52)(H,48,49)(H,54,55)(H4,36,37,39)/t24-,25-,26-,27-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C35H55N9O11
Molecular Weight	777.8649
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:13:55 GMT 2023` Edited by `admin` on `Sat Dec 16 10:13:55 GMT 2023`
Record UNII	83GZC98HDD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIACETYLSPLENOPENTIN

Common Name

English

BERLOPENTIN

Common Name

English

L-TYROSINE, N2-ACETYL-L-ARGINYL-N6-ACETYL-L-LYSYL-L-.ALPHA.-GLUTAMYL-L-VALYL-

Systematic Name

English

BCH 069

Code

English

BCH-069

Code

English

DA-SP 5

Code

English

Code System Code Type Description

CAS

91418-71-2

Created by admin on Sat Dec 16 10:13:55 GMT 2023 , Edited by admin on Sat Dec 16 10:13:55 GMT 2023

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EPA CompTox

DTXSID50919759

Created by admin on Sat Dec 16 10:13:55 GMT 2023 , Edited by admin on Sat Dec 16 10:13:55 GMT 2023

PRIMARY

PUBCHEM

124634

Created by admin on Sat Dec 16 10:13:55 GMT 2023 , Edited by admin on Sat Dec 16 10:13:55 GMT 2023

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FDA UNII

83GZC98HDD

Created by admin on Sat Dec 16 10:13:55 GMT 2023 , Edited by admin on Sat Dec 16 10:13:55 GMT 2023

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Related Record Type Details


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DIACETYLSPLENOPENTIN HYDROCHLORIDE

SALT/SOLVATE -> PARENT