Carbamic acid, [(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(cyclohexyloxy)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester

HCID 6321056
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기본 정보

표준 SMILES
O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCCC1)S(=O)(=O)c1ccc2c(c1)OCO2)O[C@H]1CO[C@H]2OCC[C@H]21
InChIKey
JZCAHOBXDOCSRW-KTJDEMTHSA-N
분자식
C30H38N2O10S
평균 분자량
618.7 g/mol

이름 및 식별자

우선 이름
Carbamic acid, [(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(cyclohexyloxy)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester
IUPAC
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(cyclohexyloxy)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

이름 및 동의어

BDBM9181CHEMBL364424SCHEMBL14066016JZCAHOBXDOCSRW-KTJDEMTHSA-N(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[2H-1,3-benzodioxole-5-(cyclohexyloxy)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate(3R,3aS,6aR)hexahydrofuro[2,3-b]furan-3-yl (1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(cyclohexyloxy)amino]-1-benzyl-2-hydroxypropylcarbamate(3r,3as,6ar)hexahydrofuro[2,3-b]furan-3-yl(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(cyclohexyloxy)amino]-1-benzyl-2-hydroxypropylcarbamate[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(1S,2R)-3-[1,3-benzodioxol-5-ylsulfonyl(cyclohexoxy)amino]-1-benzyl-2-hydroxy-propyl]carbamateCarbamic acid, [(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(cyclohexyloxy)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester

데이터베이스 식별자

PubChem CID
6321056
ChEMBL
CHEMBL364424

물성

구조 계산 물성

XLogP
4
극성 표면적
150 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
11
회전 가능 결합 수
12
무거운 원자 수
43

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