Carbamic acid, [(1S,2R)-3-[(cyclohexyloxy)[(4-hydroxyphenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester

HCID 6321055
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기본 정보

표준 SMILES
O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCCC1)S(=O)(=O)c1ccc(O)cc1)O[C@H]1CO[C@H]2OCC[C@H]21
InChIKey
MXZUOYJAKKUHJB-AJIIGFCHSA-N
분자식
C29H38N2O9S
평균 분자량
590.7 g/mol

이름 및 식별자

우선 이름
Carbamic acid, [(1S,2R)-3-[(cyclohexyloxy)[(4-hydroxyphenyl)sulfonyl]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-[cyclohexyloxy-(4-hydroxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

이름 및 동의어

BDBM9180CHEMBL361082SCHEMBL14066021MXZUOYJAKKUHJB-AJIIGFCHSA-N(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(cyclohexyloxy)(4-hydroxybenzene)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate(3R,3aS,6aR)hexahydrofuro[2,3-b]furan-3-yl (1S,2R)-1-benzyl-3-{(cyclohexyloxy)[(4-hydroxyphenyl)sulfonyl]amino}-2-hydroxypropylcarbamate(3r,3as,6ar)hexahydrofuro[2,3-b]furan-3-yl(1s,2r)-1-benzyl-3-{(cyclohexyloxy)[(4-hydroxyphenyl)sulfonyl]amino}-2-hydroxypropylcarbamate[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(1S,2R)-1-benzyl-3-[cyclohexoxy-(4-hydroxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]carbamateCarbamic acid, [(1S,2R)-3-[(cyclohexyloxy)[(4-hydroxyphenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester

데이터베이스 식별자

PubChem CID
6321055
ChEMBL
CHEMBL361082

물성

구조 계산 물성

XLogP
3.8
극성 표면적
152 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
10
회전 가능 결합 수
12
무거운 원자 수
41

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