기본 정보
- 표준 SMILES
Cc1oc2nc1C(=O)N[C@H](C)c1nc(cs1)C(=O)N[C@H](CCS(C)=O)c1nc(cs1)C(=O)N[C@@H]2C- InChIKey
VBKOUAVWXRGGDI-AFCAKOPLSA-N- 분자식
- C21H24N6O5S3
- 평균 분자량
- 536.7 g/mol
- 단동위원소 질량
- 536.09703141
개요
Dendroamide C is a keratan 6'-sulfate and an azamacrocycle.
이름 및 식별자
- 우선 이름
- Dendroamide C
- IUPAC
- (4R,11R,18R)-4,7,11-trimethyl-18-(2-methylsulfinylethyl)-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 C(4R,11R,18R)-18-(2-Methanesulphinylethyl)-4,7,11-trimethyl-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)-18-(2-Methanesulphinylethyl)-4,7,11-trimethyl-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-methylsulfinylethyl)-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-methylsulfinylethyl)-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-trioneRefChem:131813MLS005148193CHEMBL517602SCHEMBL6007763CHEBI:200365DTXSID401047409SMR003965428
이름 더 보기
(4R,11R,18R)-4,7,11-trimethyl-18-(2-methylsulinylethyl)-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
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 232 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 852
관련 반응
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