Bocodepsin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H39N5O6S2
Molecular Weight	581.748
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@H](N)C(=O)SCC\C=C\[C@@H]1CC(=O)NCC2=NC(=CS2)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)O1

InChI

InChIKey=YBLKKAYDPCHCJG-IQGTVIFDSA-N

InChI=1S/C26H39N5O6S2/c1-14(2)20(27)24(35)38-10-8-7-9-16-11-18(32)28-12-19-29-17(13-39-19)22(33)31-26(5,6)25(36)30-21(15(3)4)23(34)37-16/h7,9,13-16,20-21H,8,10-12,27H2,1-6H3,(H,28,32)(H,30,36)(H,31,33)/b9-7+/t16-,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H39N5O6S2
Molecular Weight	581.748
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:18:02 GMT 2023` Edited by `admin` on `Sat Dec 16 14:18:02 GMT 2023`
Record UNII	K5D067O1SW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Bocodepsin

Official Name

English

L-Valine, S-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenonyl-2-(aminomethyl)-4-thiazolecarbonyl-2-methylalanyl-, (5→2)-lactone

Common Name

English

BOCODEPSIN [USAN]

Common Name

English

S-{(3E)-4-[(6S,9S)-12,12-dimethyl-4,8,11,14-tetraoxo-9-(propan-2-yl)-7-oxa-3,10,13-triaza-1(2,4)-[1,3]thiazolacyclotetradecaphan-6-yl]but-3-en-1-yl} (2S)-2-amino-3-methylbutanethioate

Systematic Name

English

OKI-006

Code

English

S-{4-[(7S,10S)-4,4-dimethyl-2,5,8,12-tetraoxo-7-(propan-2-yl)-9-oxa-16-thia-3,6,13,18-tetraazabicyclo[13.2.1]octadeca-15(18),17-dien-10-yl]but-3-en-1-yl} (2S)-2-amino-3-methylbutanethioate

Systematic Name

English

bocodepsin [INN]

Common Name

English

Code System Code Type Description

USAN

KL-201