(4R)-3-((2S,3S)-2-Hydroxy-3-(3-hydroxy-2-methylbenzoylamino)-4-phenyl-butyryl)-5,5 dimethyl-thiazolidine-4-carboxylic acid allylamide
기본 정보
- CAS
478410-84-3- 표준 SMILES
C=CCNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(O)c2C)CSC1(C)C- InChIKey
LXRNKYYBEZMYNM-ACIOBRDBSA-N- 분자식
- C27H33N3O5S
- 평균 분자량
- 511.6 g/mol
- 단동위원소 질량
- 511.21409234
이름 및 식별자
- 우선 이름
- (4R)-3-((2S,3S)-2-Hydroxy-3-(3-hydroxy-2-methylbenzoylamino)-4-phenyl-butyryl)-5,5 dimethyl-thiazolidine-4-carboxylic acid allylamide
- IUPAC
- (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-N-prop-2-enyl-1,3-thiazolidine-4-carboxamide
- 영어명
- KNI-1317|(R)-N-allyl-3-[(2S,3S)-3-(3-hydroxy-2-Methylbenzoyl)aMino-2-hydroxy-4-phenylbutanoyl]-5,5-diMethyl-1,3-thiazolidine-4-carboxaMide|(R)-3-((2S,3S)-2-Hydroxy-3-{[1-(3-hydroxy-2-Methyl-phenyl)-Methanoyl]-aMino}-4-phenyl-butanoyl)-5,5-d iMethyl-thiaz
- 분자식
- C27H33N3O5S
- 분자량
- 511.63302
이름 및 동의어
478410-84-3AG-1859UNII-USI577N9VEKNI-1317USI577N9VEAG-001859AG 1859AG 001859(4R)-3-((2S,3S)-2-Hydroxy-3-(3-hydroxy-2-methylbenzoylamino)-4-phenyl-butyryl)-5,5 dimethyl-thiazolidine-4-carboxylic acid allylamide(4R)-3-[(2S,3S)-2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL-BUTYRYL]-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID ALLYLAMIDE(4R)-3-((2S,3S)-2-Hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-1-oxo-4-phenylbutyl)-5,5-dimethyl-N-2-propenyl-4-thiazolidinecarboxamide(4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-N-prop-2-enyl-1,3-thiazolidine-4-carboxamide
이름 더 보기
AG1859AG001859KNI-1317|(R)-N-allyl-3-[(2S,3S)-3-(3-hydroxy-2-Methylbenzoyl)aMino-2-hydroxy-4-phenylbutanoyl]-5,5-diMethyl-1,3-thiazolidine-4-carboxaMide|(R)-3-((2S,3S)-2-Hydroxy-3-{[1-(3-hydroxy-2-Methyl-phenyl)-Methanoyl]-aMino}-4-phenyl-butanoyl)-5,5-d iMethyl-thiaz
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 144 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 800
관련 반응
2건
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