기본 정보
- 표준 SMILES
COC(=O)N[C@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)c(Cl)c1)C(c1ccccc1)c1ccccc1- InChIKey
LDWSLOZCFNTYKT-HVNZXBJASA-N- 분자식
- C33H43ClN4O6S
- 평균 분자량
- 659.2 g/mol
이름 및 식별자
- 우선 이름
- (1S,5S)-(1-{5-[(4-Amino-3-chloro-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2,2-diphenyl-ethyl)-carbamic Acid Methyl Ester
- IUPAC
- methyl N-[(2S)-1-[[(5S)-5-[(4-amino-3-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
이름 및 동의어
SCHEMBL2782074SCHEMBL29427438LDWSLOZCFNTYKT-HVNZXBJASA-NMX-158((1S)-1-{(5S)-5-[(4-Amino-3-chloro-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2,2-diphenyl-ethyl)-carbamic acid methyl ester(1S,5S)-(1-{5-[(4-Amino-3-chloro-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2,2-diphenyl-ethyl)-carbamic Acid Methyl Estermethyl N-[(1S)-1-[[(5S)-5-[(4-amino-3-chloro-phenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]carbamoyl]-2,2-diphenyl-ethyl]carbamate
데이터베이스 식별자
- PubChem CID
- 513972
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 159 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 982
관련 반응
1건
화합물 노트
불러오는 중…