Dendroamide B
기본 정보
- 표준 SMILES
CSCC[C@H]1NC(=O)c2csc(n2)[C@@H](C)NC(=O)c2nc(oc2C)[C@@H](C)NC(=O)c2csc1n2- InChIKey
AERWTVOXUHXGAE-CKYFFXLPSA-N- 분자식
- C21H24N6O4S3
- 평균 분자량
- 520.7 g/mol
- 단동위원소 질량
- 520.10211679
개요
Dendroamide B is a keratan 6'-sulfate and an azamacrocycle.
이름 및 식별자
- 우선 이름
- Dendroamide B
- IUPAC
- (4R,11R,18R)-4,7,11-trimethyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
이름 및 동의어
dendroamide B(4R,11R,18R)-4,7,11-Trimethyl-18-(2-(methylsulphanyl)ethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo(17.2.1.1,.1,)tetracosa-1(21),2,5(24),7,9,12(23),14,16,19(22)-nonaene-2,9,16-triol(4R,11R,18R)-4,7,11-trimethyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo(17.2.1.15,8.112,15)tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione(4R,11R,18R)-4,7,11-trimethyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione(4R,11R,18R)-4,7,11-Trimethyl-18-[2-(methylsulphanyl)ethyl]-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1,.1,]tetracosa-1(21),2,5(24),7,9,12(23),14,16,19(22)-nonaene-2,9,16-triolRefChem:131812MLS005148192CHEMBL462762SCHEMBL16431329CHEBI:205472DTXSID401046306SMR003965427
이름 더 보기
(4R,11R,18R)-4,7,11-trimethyl-18-(2-methylsulanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
데이터베이스 식별자
- PubChem CID
- 10673550
- DTXSID
DTXSID401046306- ChEMBL
CHEMBL462762- ChEBI
CHEBI:205472- Nikkaji
- J861.930A
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 221 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 779
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