CRYPTOPHYCIN-52

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H45ClN2O8
Molecular Weight	669.204
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(O[C@]1([H])C2=CC=CC=C2)[C@@H](C)[C@@H]3C\C=C\C(=O)N[C@H](CC4=CC=C(OC)C(Cl)=C4)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O3

InChI

InChIKey=LSXOBYNBRKOTIQ-RQUBOUMQSA-N

InChI=1S/C36H45ClN2O8/c1-21(2)17-29-34(42)45-27(22(3)31-32(47-31)24-11-8-7-9-12-24)13-10-14-30(40)39-26(19-23-15-16-28(44-6)25(37)18-23)33(41)38-20-36(4,5)35(43)46-29/h7-12,14-16,18,21-22,26-27,29,31-32H,13,17,19-20H2,1-6H3,(H,38,41)(H,39,40)/b14-10+/t22-,26+,27-,29-,31+,32+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H45ClN2O8
Molecular Weight	669.204
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:47:59 GMT 2023` Edited by `admin` on `Fri Dec 15 15:47:59 GMT 2023`
Record UNII	I7FQ5A183L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CRYPTOPHYCIN-52

Common Name

English

CYCLO(2,2-DIMETHYL-.BETA.-ALANYL-(2S)-2-HYDROXY-4-METHYLPENTANOYL-(2E,5S,6S)-5-HYDROXY-6-((2R,3R)-3-PHENYLOXIRANYL)-2-HEPTENOYL-3-CHLORO-O-METHYL-D-TYROSYL)

Common Name

English

CRYPTOPHYCIN 52, (+)-

Common Name

English

CYCLO(2,2-DIMETHYL-.BETA.-ALANYL-(2S)-2-HYDROXY-4-METHYLPENTANOYL-(2E,5S,6S)-5-HYDROXY-6-((2R,3R)-3-PHENYL-2-OXIRANYL)-2-HEPTENOYL-3-CHLORO-O-METHYL-D-TYROSYL)

Common Name

English

3-CHLORO-N-((2E,5S,6S)-5-HYDROXY-1-OXO-6-((2R,3R)-3-PHENYLOXIRANYL)-2-HEPTENYL)-O-METHYL-D-TYROSYL-2,2-DIMETHYL-B-ALANYL-2-HYDROXY-4-METHYL-PENTANOIC AICD (3-1)LACTONE, (2S)

Common Name

English

CRYPTOPHYCIN 52

Common Name

English

(+)-CRYPTOPHYCIN 52

Common Name

English

LY355703

Code

English

PENTANOIC ACID, 3-CHLORO-N-((2E,5S,6S)-5-HYDROXY-1-OXO-6-((2R,3R)-3-PHENYLOXIRANYL)-2-HEPTENYL)-O-METHYL-D-TYROSYL-2,2-DIMETHYL-.BETA.-ALANYL-2-HYDROXY-4-METHYL-, (3,1)-LACTONE, (2S)-

Common Name

English

CRYPTOPHYCIN-52 [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C67422