Carbamic acid, [(1S,2R)-3-[(cyclohexyloxy)[(3-aminophenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester
기본 정보
- 표준 SMILES
Nc1cccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)OC2CCCCC2)c1- InChIKey
PGARSBKYUGXTLH-AJIIGFCHSA-N- 분자식
- C29H39N3O8S
- 평균 분자량
- 589.7 g/mol
이름 및 식별자
- 우선 이름
- Carbamic acid, [(1S,2R)-3-[(cyclohexyloxy)[(3-aminophenyl)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-[(3-aminophenyl)sulfonyl-cyclohexyloxyamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
이름 및 동의어
BDBM9178CHEMBL362510SCHEMBL14066015PGARSBKYUGXTLH-AJIIGFCHSA-N(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(3-aminobenzene)(cyclohexyloxy)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate(3R,3aS,6aR)hexahydrofuro[2,3-b]furan-3-yl (1S,2R)-3-[[(3-aminophenyl)sulfonyl](cyclohexyloxy)amino]-1-benzyl-2-hydroxypropylcarbamate(3r,3as,6ar)hexahydrofuro[2,3-b]furan-3-yl(1s,2r)-3-[[(3-aminophenyl)sulfonyl](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-[(3-aminophenyl)sulfonyl-(cyclohexoxy)amino]-1-benzyl-2-hydroxy-propyl]carbamateCarbamic acid, [(1S,2R)-3-[(cyclohexyloxy)[(3-aminophenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester
데이터베이스 식별자
- PubChem CID
- 6321053
- ChEMBL
CHEMBL362510
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 158 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 937
관련 반응
2건
화합물 노트
불러오는 중…