CYCLOTHEONAMIDE A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H45N9O8
Molecular Weight	731.798
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC(=N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)C1=O)NC=O

InChI

InChIKey=CDWXSPKJKIUEQF-BIXWYCRZSA-N

InChI=1S/C36H45N9O8/c37-36(38)39-16-4-8-26-31(49)34(52)44-27(19-22-6-2-1-3-7-22)32(50)42-24(18-23-10-13-25(47)14-11-23)12-15-30(48)40-20-28(41-21-46)35(53)45-17-5-9-29(45)33(51)43-26/h1-3,6-7,10-15,21,24,26-29,47H,4-5,8-9,16-20H2,(H,40,48)(H,41,46)(H,42,50)(H,43,51)(H,44,52)(H4,37,38,39)/b15-12+/t24-,26+,27-,28+,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C36H45N9O8
Molecular Weight	731.798
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:12:27 GMT 2025` Edited by `admin` on `Mon Mar 31 22:12:27 GMT 2025`
Record UNII	2Y1TEH8EW7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MS-1144

Preferred Name

English

CYCLOTHEONAMIDE A

Common Name

English

CYCLO((2S)-2-(FORMYLAMINO)-.BETA.-ALANYL-L-PROLYL-(3S)-3-AMINO-6-((AMINOIMINOMETHYL)AMINO)-2-OXOHEXANOYL-D-PHENYLALANYL-(2E,4S)-4-AMINO-5-(4-HYDROXYPHENYL)-2-PENTENOYL)

Systematic Name

English

CYCLOTHEONAMIDE A [MI]

Common Name

English

Code System Code Type Description

PUBCHEM

5287991