(2S,4R)-N-[(1S)-2-hydroxy-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide

HCID 9063CAS 12768-69-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCC[C@@H]1C[C@@H](C(=O)N[C@@H](C(C)O)C2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1
InChIKey
OJMMVQQUTAEWLP-ZUWRKQLMSA-N
분자식
C18H34N2O6S
평균 분자량
406.5 g/mol
단동위원소 질량
406.21375798

이름 및 식별자

우선 이름
(2S,4R)-N-[(1S)-2-hydroxy-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
IUPAC
(2S,4R)-N-[(1S)-2-hydroxy-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide

이름 및 동의어

(2S,4R)-N-[(1S)-2-hydroxy-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide12768-69-3DTXSID50925936OJMMVQQUTAEWLP-ZUWRKQLMSA-NMethyl 6,8-dideoxy-6-({hydroxy[(2S,4R)-1-methyl-4-propylpyrrolidin-2-yl]methylidene}amino)-1-thio-beta-L-altro-octopyranosideMethyl 6,8-dideoxy-6-{[hydroxy(1-methyl-4-propylpyrrolidin-2-yl)methylidene]amino}-1-thiooctopyranoside

데이터베이스 식별자

CAS
12768-69-3
PubChem CID
9063
DTXSID
DTXSID50925936

물성

구조 계산 물성

XLogP
0.2
극성 표면적
148 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
8
회전 가능 결합 수
7
무거운 원자 수
27

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