Acetic acid 4-methyl-1-(4-methylcarbamoyl-thiazol-2-yl)-3-(methyl-{3-methyl-2-[(1-methyl-piperidine-2-carbonyl)-amino]-pentanoyl}-amino)-pentyl ester
기본 정보
- 표준 SMILES
CCC(C)C(NC(=O)C1CCCCN1C)C(=O)N(C)C(CC(OC(C)=O)c1nc(C(=O)NC)cs1)C(C)C- InChIKey
LPXMGTFSTVZQNQ-UHFFFAOYSA-N- 분자식
- C27H45N5O5S
- 평균 분자량
- 551.7 g/mol
이름 및 식별자
- 우선 이름
- Acetic acid 4-methyl-1-(4-methylcarbamoyl-thiazol-2-yl)-3-(methyl-{3-methyl-2-[(1-methyl-piperidine-2-carbonyl)-amino]-pentanoyl}-amino)-pentyl ester
- IUPAC
- [4-methyl-1-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl] acetate
이름 및 동의어
SCHEMBL909653LPXMGTFSTVZQNQ-UHFFFAOYSA-Nacetic acid 4-methyl-1-(4-methylcarbamoyl-thiazol-2-yl)-3-(methyl-{3-methyl-2-[(1-methyl-piperidine-2-carbonyl)-amino]-pentanoyl}-amino)-pentyl ester
데이터베이스 식별자
- PubChem CID
- 66839688
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 149 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 828
관련 반응
2건
화합물 노트
불러오는 중…