기본 정보
- 표준 SMILES
CCCC(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C- InChIKey
SLJZYOVZWGGRQB-GRYOGVIMSA-N- 분자식
- C40H62N6O9
- 평균 분자량
- 771 g/mol
- 단동위원소 질량
- 770.45782758
개요
Tasipeptin B is a cyclodepsipeptide.
이름 및 식별자
- 우선 이름
- Tasipeptin B
- IUPAC
- N-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-2,15-bis(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]butanamide
이름 및 동의어
Tasipeptin BDTXSID501334354N-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-2,15-bis(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]butanamideN-((2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-2,15-bis(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo(16.3.1)docosan-12-yl)butanamideRefChem:187487DTXCID201763756546123-47-1N-((2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-2,15-diisobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo(16.3.1)docosan-12-yl)butyramideCHEMBL508619SCHEMBL1593428CHEBI:205299N-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-2,15-bis(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl]butanamide
데이터베이스 식별자
- PubChem CID
- 9987747
- DTXSID
DTXSID501334354- ChEMBL
CHEMBL508619- ChEBI
CHEBI:205299
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 204 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,370
관련 반응
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