기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)N1CC(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCC(c3ccccc3N(CC3CC3)S(C)(=O)=O)CC2)C1- InChIKey
VIWHMQGJOJTYDJ-GDLZYMKVSA-N- 분자식
- C34H45ClN4O6S
- 평균 분자량
- 673.3 g/mol
- 단동위원소 질량
- 672.274834
이름 및 식별자
- 우선 이름
- Tert-butyl 3-(n-[(1r)-1-[(4-chlorophenyl)methyl]-2-(4-{2-[(cyclopropylmethyl)-(methylsulfonyl)amino]phenyl}piperidyl)-2-oxoethyl]carbamoyl)azetidine-carboxylate
- IUPAC
- tert-butyl 3-[[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate
이름 및 동의어
tert-butyl 3-(n-[(1r)-1-[(4-chlorophenyl)methyl]-2-(4-{2-[(cyclopropylmethyl)-(methylsulfonyl)amino]phenyl}piperidyl)-2-oxoethyl]carbamoyl)azetidine-carboxylatetert-butyl 3-(N-[(1R)-1-[(4-chlorophenyl)methyl]-2-(4-{2-[(cyclopropylmethyl)-(methylsulfonyl)amino]phenyl}piperidyl)-2-oxoethyl]carbamoyl}azetidine-carboxylatetert-butyl 3-{n-[(1r)-1-[(4-chlorophenyl)methyl]-2-(4-{2-[(cyclopropylmethyl)-(methylsulfonyl)amino]phenyl}piperidyl)-2-oxoethyl]carbamoyl}azetidine-carboxylateSCHEMBL4701517VIWHMQGJOJTYDJ-GDLZYMKVSA-N
데이터베이스 식별자
- PubChem CID
- 23587442
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 125 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,180
관련 반응
2건
화합물 노트
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