N-[1-[[1-[[5-[(3-bromo-4-hydroxyphenyl)methyl]-21-hydroxy-2-(1-hydroxyethyl)-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-2-(2,3-dihydroxypropanoylamino)-5-(4-hydroxyphenyl)pentanamide
기본 정보
- 표준 SMILES
CC(C)CC1N=C(O)C(N=C(O)C(N=C(O)C(C)N=C(O)C(CCCc2ccc(O)cc2)N=C(O)C(O)CO)C(C)C)C(C)OC(=O)C(C(C)C)N=C(O)C(Cc2ccc(O)c(Br)c2)N(C)C(=O)C(C(C)O)N2C(=O)C(CCC2O)N=C1O- InChIKey
VIXXINFROOFGPE-UHFFFAOYSA-N- 분자식
- C56H82BrN9O17
- 평균 분자량
- 1,233.2 g/mol
- 단동위원소 질량
- 1,231.50120426
이름 및 식별자
- 우선 이름
- N-[1-[[1-[[5-[(3-bromo-4-hydroxyphenyl)methyl]-21-hydroxy-2-(1-hydroxyethyl)-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-2-(2,3-dihydroxypropanoylamino)-5-(4-hydroxyphenyl)pentanamide
- IUPAC
- N-[1-[[1-[[5-[(3-bromo-4-hydroxyphenyl)methyl]-21-hydroxy-2-(1-hydroxyethyl)-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-2-(2,3-dihydroxypropanoylamino)-5-(4-hydroxyphenyl)pentanamide
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 392 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 83
- 형식 전하
- 0
- 복잡도
- 2,260
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…