ESTATIN A

Details

Stereochemistry	UNKNOWN
Molecular Formula	C18H25N5O5
Molecular Weight	391.4216
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC(=N)NCCCCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2OC2C(O)=O

InChI

InChIKey=CDANUSUTFSNLOG-HSBZDZAISA-N

InChI=1S/C18H25N5O5/c19-18(20)22-9-5-4-8-21-15(24)12(10-11-6-2-1-3-7-11)23-16(25)13-14(28-13)17(26)27/h1-3,6-7,12-14H,4-5,8-10H2,(H,21,24)(H,23,25)(H,26,27)(H4,19,20,22)/t12-,13?,14?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H25N5O5
Molecular Weight	391.4216
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	1 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:53:09 GMT 2023` Edited by `admin` on `Sat Dec 16 11:53:09 GMT 2023`
Record UNII	03VDV3X53E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTATIN A

Common Name

English

OXIRANECARBOXYLIC ACID, 3-((((1S)-2-((4-((AMINOIMINOMETHYL)AMINO)BUTYL)AMINO)-2-OXO-1-(PHENYLMETHYL)ETHYL)AMINO)CARBONYL)-

Systematic Name

English

OXIRANECARBOXYLIC ACID, 3-(((2-((4-((AMINOIMINOMETHYL)AMINO)BUTYL)AMINO)-2-OXO-1-(PHENYLMETHYL)ETHYL)AMINO)CARBONYL)-

Systematic Name

English

Code System Code Type Description

CAS

106455-06-5

Created by admin on Sat Dec 16 11:53:09 GMT 2023 , Edited by admin on Sat Dec 16 11:53:09 GMT 2023

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EPA CompTox

DTXSID10910005

Created by admin on Sat Dec 16 11:53:09 GMT 2023 , Edited by admin on Sat Dec 16 11:53:09 GMT 2023

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FDA UNII

03VDV3X53E

Created by admin on Sat Dec 16 11:53:09 GMT 2023 , Edited by admin on Sat Dec 16 11:53:09 GMT 2023

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PUBCHEM

14032016

Created by admin on Sat Dec 16 11:53:09 GMT 2023 , Edited by admin on Sat Dec 16 11:53:09 GMT 2023

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