MICROCYSTIN-YR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H72N10O13
Molecular Weight	1045.1873
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H](CC1=CC=CC=C1)[C@@H](C)\C=C(C)\C=C\[C@@H]2NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]2C)C(O)=O)C(O)=O

InChI

InChIKey=OWHASZQTEFAUJC-GJRPNUFSSA-N

InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)60-40(26-35-17-19-36(63)20-18-35)49(70)61-43(51(73)74)31(4)45(66)58-38(48(69)57-37)15-12-24-55-52(53)54/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,69)(H,58,66)(H,59,65)(H,60,67)(H,61,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C52H72N10O13
Molecular Weight	1045.1873
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 00:10:47 GMT 2023` Edited by `admin` on `Sat Dec 16 00:10:47 GMT 2023`
Record UNII	4G08121T5U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MICROCYSTIN-YR

Common Name

English

CYCLO(2,3-DIDEHYDRO-N-METHYLALANYL-D-ALANYL-L-TYROSYL-ERYTHRO-3-METHYL-D-.BETA.-ASPARTYL-L-ARGINYL-(2S,3S,4E,6E,8S,9S)-4,5,6,7-TETRADEHYDRO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYL-3-AMINODECANOYL-D-.GAMMA.-GLUTAMYL)

Common Name

English

MICROCYSTIN YR

Common Name

English

N-METHYLCYCLO(DHA-D-ALA-L-TYR-((3S)-3-METHYL-D-BETAASP-)-L-ARG-((2S,3S)-2-METHYL-3-((1E,3E,5S,6S)-3,5-DIMETHYL-6-METHOXY-7-PHENYLHEPTA-1,3-DIENE-1-YL)-BETAALA-)-D-GAMMAGLU-)

Common Name

English

CYANOGINOSIN LA, 3-L-TYROSYL-5-L-ARGININE

Common Name

English

CYCLO(2,3-DIDEHYDRO-N-METHYLALANYL-D-ALANYL-L-TYROSYL-(3S)-3-METHYL-D-.BETA.-ASPARTYL-L-ARGINYL-(2S,3S,4E,6E,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYL-4,6-DECADIENOYL-D-.GAMMA.-GLUTAMYL)

Common Name

English

CYANOGINOSIN YR

Common Name

English

CYANOGINOSIN LA, 3-L-TYROSINE-5-L-ARGININE-

Common Name

English

CYANOGINOSIN LA, 3-TYROSYL-5-ARGININE-

Common Name

English

MICROCYSTIN LR

Common Name

English

CYANOGINOSIN-YR

Common Name

English

C19997

Code

English

Code System Code Type Description

PUBCHEM

6437088