기본 정보
- CAS
819083-84-6- 표준 SMILES
C=C(C)CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)COc2c(C)cc(N)cc2C)CSC1(C)C- InChIKey
YCDHYYBDJVMMOY-SCTDOJESSA-N- 분자식
- C30H40N4O5S
- 평균 분자량
- 568.7 g/mol
- 단동위원소 질량
- 568.27194156
이름 및 식별자
- 우선 이름
- Kni-1689
- IUPAC
- (4R)-3-[(2S,3S)-3-[[2-(4-amino-2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop-2-enyl)-1,3-thiazolidine-4-carboxamide
이름 및 동의어
KNI-1689MBD2SVR3HAKNI1689(4R)-3-((2S,3S)-3-((2-(4-Amino-2,6-dimethylphenoxy)acetyl)amino)-2-hydroxy-1-oxo-4-phenylbutyl)-5,5-dimethyl-N-(2-methyl-2-propen-1-yl)-4-thiazolidinecarboxamide4-Thiazolidinecarboxamide, 3-((2S,3S)-3-(((4-amino-2,6-dimethylphenoxy)acetyl)amino)-2-hydroxy-1-oxo-4-phenylbutyl)-5,5-dimethyl-N-(2-methyl-2-propenyl)-, (4R)-4-Thiazolidinecarboxamide, 3-((2S,3S)-3-((2-(4-amino-2,6-dimethylphenoxy)acetyl)amino)-2-hydroxy-1-oxo-4-phenylbutyl)-5,5-dimethyl-N-(2-methyl-2-propen-1-yl)-, (4R)-819083-84-6RefChem:201379CHEMBL573975(4r)-3-[(2s,3s)-3-{[(4-Amino-2,6-Dimethylphenoxy)acetyl]amino}-2-Hydroxy-4-Phenylbutanoyl]-5,5-Dimethyl-N-(2-Methylprop-2-En-1-Yl)-1,3-Thiazolidine-4-Carboxamide3a2oUNII-MBD2SVR3HA
이름 더 보기
BDBM50480929-2-en-1-yl)-1,3-thiazolidine-4-carboxamideQ27462038(4R)-3-[(2S,3S)-3-[[2-(4-amino-2,6-dimethyl-phenoxy)acetyl]amino]-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-N-(2-methylallyl)thiazolidine-4-carboxamide(4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop(4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop -2-en-1-yl)-1,3-thiazolidine-4-carboxamide(R)-N-(2-Methylallyl)-3-[(2S,3S)-3-(4-amino-2,6-dimethyphenoxyacetyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamideKNJ
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 159 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 897
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