BARUSIBAN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H63N9O8S
Molecular Weight	830.049
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(NC(=O)[C@@H](NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)[C@H](CO)CCCN)[C@@H](C)CC)[C@H](C)CC

InChI

InChIKey=UGNGRKKDUVKQDF-IHOMMZCZSA-N

InChI=1S/C40H63N9O8S/c1-6-23(3)34-38(55)46-31(20-32(42)51)36(53)45-29(40(57)49(5)26(22-50)11-10-16-41)14-17-58-18-15-33(52)44-30(19-25-21-43-28-13-9-8-12-27(25)28)37(54)47-35(24(4)7-2)39(56)48-34/h8-9,12-13,21,23-24,26,29-31,34-35,43,50H,6-7,10-11,14-20,22,41H2,1-5H3,(H2,42,51)(H,44,52)(H,45,53)(H,46,55)(H,47,54)(H,48,56)/t23-,24+,26+,29+,30-,31+,34+,35+/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

BARUSIBAN

Official Name

English

barusiban [INN]

Common Name

English

C(SUP 4.6),S(SUP 1)-CYCLO(N-(3-SULFANYLPROPANOYL)-D-TRYPTOPHYL-L-ISOLEUCYL-L-ALLOISOLEUCYL-L-ASPARAGINYL-L-2-AMINOBUTANOYL-N-METHYL-L-ORNITHINOL)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C98292

Created by admin on Fri Dec 15 16:14:28 UTC 2023 , Edited by admin on Fri Dec 15 16:14:28 UTC 2023

Code System Code Type Description

WIKIPEDIA

Barusiban

Created by admin on Fri Dec 15 16:14:28 UTC 2023 , Edited by admin on Fri Dec 15 16:14:28 UTC 2023

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ChEMBL

CHEMBL2218898

Created by admin on Fri Dec 15 16:14:27 UTC 2023 , Edited by admin on Fri Dec 15 16:14:27 UTC 2023

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FDA UNII

UX33I93GLS

Created by admin on Fri Dec 15 16:14:27 UTC 2023 , Edited by admin on Fri Dec 15 16:14:27 UTC 2023

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MESH

C517339

Created by admin on Fri Dec 15 16:14:28 UTC 2023 , Edited by admin on Fri Dec 15 16:14:28 UTC 2023

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DRUG BANK

DB12292

Created by admin on Fri Dec 15 16:14:27 UTC 2023 , Edited by admin on Fri Dec 15 16:14:27 UTC 2023

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CAS

285571-64-4

Created by admin on Fri Dec 15 16:14:27 UTC 2023 , Edited by admin on Fri Dec 15 16:14:27 UTC 2023

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INN

8252

Created by admin on Fri Dec 15 16:14:27 UTC 2023 , Edited by admin on Fri Dec 15 16:14:27 UTC 2023

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EPA CompTox

DTXSID20182771

Created by admin on Fri Dec 15 16:14:27 UTC 2023 , Edited by admin on Fri Dec 15 16:14:27 UTC 2023

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NCI_THESAURUS

C90866

Created by admin on Fri Dec 15 16:14:28 UTC 2023 , Edited by admin on Fri Dec 15 16:14:28 UTC 2023

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PUBCHEM

9832431

Created by admin on Fri Dec 15 16:14:28 UTC 2023 , Edited by admin on Fri Dec 15 16:14:28 UTC 2023

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ACTIVE MOIETY


					UX33I93GLS

BARUSIBAN