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기본 정보
- 표준 SMILES
CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O- InChIKey
AKWKBACKRMYPRV-NQIIRXRSSA-N- 분자식
- C25H35N3O4
- 평균 분자량
- 441.6 g/mol
- 단동위원소 질량
- 441.26275661
이름 및 식별자
- 우선 이름
- 5-Methyl-3-(9-oxo-1,8-diaza-tricyclo(10.6.1.013,18)nonadeca-12(19),13,15,17-tetraen-10-ylcarbamoyl)-hexanoic acid
- IUPAC
- (3R)-5-methyl-3-[[(10S)-9-oxo-1,8-diazatricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-yl]carbamoyl]hexanoic acid
이름 및 동의어
5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID(3R)-5-methyl-3-(((10S)-9-oxo-1,8-diazatricyclo(10.6.1.013,1?)nonadeca-12(19),13(18),14,16-tetraen-10-yl)carbamoyl)hexanoic acid(3R)-5-methyl-3-{[(10S)-9-oxo-1,8-diazatricyclo[10.6.1.013,1?]nonadeca-12(19),13(18),14,16-tetraen-10-yl]carbamoyl}hexanoic acid5-Methyl-3-(9-oxo-1,8-diaza-tricyclo(10.6.1.013,18)nonadeca-12(19),13,15,17-tetraen-10-ylcarbamoyl)-hexanoic acidRefChem:537072CHEMBL2821461mmpSCHEMBL7445800AKWKBACKRMYPRV-NQIIRXRSSA-NBDBM50284756DB08493PD004350
이름 더 보기
NS00069254Q27097695(3R)-5-methyl-3-{[(10S)-9-oxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,12-(metheno)-1,8-benzodiazacyclotetradecin-10-yl]carbamoyl}hexanoic acid(3R,10S)-5-methyl-3-(9-oxo-1,8-diaza-tricyclo[10.6.1.013,18 ]nonadeca-12(19),13(18),14,16-tetraen-10-ylcarbamoyl)hexanoic acid(3R,10S)-5-Methyl-3-(9-oxo-1,8-diazatricyclo[10.6.1.013,18 ]-nonadeca-12(19),13(18),14,16-tetraen-10-ylcarbamoyl)hexanoic acid(3R,10S)-5-Methyl-3-(9-oxo-1,8-diazatricyclo[10.6.1.013,18 ]nonadeca-12(19),13(18),14,16-tetraen-10-ylcarbamoyl)hexanoic acid(R)-5-Methyl-3-((S)-9-oxo-1,8-diaza-tricyclo[10.6.1.0*13,18*]nonadeca-12(19),13(18),14,16-tetraen-10-ylcarbamoyl)-hexanoic acid
물성
구조 계산 물성보충 중
- XLogP
- 3.2
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 653
관련 반응
6건
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