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기본 정보
- 표준 SMILES
O=C(CC(C(=O)NC1Cc2cn(c3ccccc23)CCOCCNC1=O)n1ccc(-c2ccccc2)c1)OCc1ccccc1- InChIKey
JFRBAVRMHGXPHK-UHFFFAOYSA-N- 분자식
- C36H36N4O5
- 평균 분자량
- 604.7 g/mol
- 단동위원소 질량
- 604.26857026
이름 및 식별자
- 우선 이름
- N-(8-oxo-4-oxa-1,7-diaza-tricyclo-[9.6.1.012,17]-octadeca-11(18), 12,14,16-tetraen-9-yl)-3-(3-phenyl-1H-pyrrol-1-yl)succinamic acid benzyl ester
- IUPAC
- benzyl 4-oxo-4-[(8-oxo-4-oxa-1,7-diazatricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-9-yl)amino]-3-(3-phenylpyrrol-1-yl)butanoate
이름 및 동의어
SCHEMBL7610718JFRBAVRMHGXPHK-UHFFFAOYSA-NN-(8-oxo-4-oxa- 1,7-diaza-tricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-9-yl)-3-(3-phenyl-1H-pyrrol-1-yl)succinamic acid benzyl esterN-(8-oxo-4-oxa-1, 7-diaza-tricyclo[9.6. 1.012, 17]octadeca-11(18), 12, 14, 16-tetraen-9-yl)-3-(3-phenyl-1H-pyrrol-1-yl)succinamic acid benzyl esterN-(8-oxo-4-oxa-1,7-diaza-tricyclo-[9.6.1.012,17]-octadeca-11(18), 12,14,16-tetraen-9-yl)-3-(3-phenyl-1H-pyrrol-1-yl)succinamic acid benzyl esterN-(8-oxo-4-oxa-1,7-diaza-tricyclo-[9.6.1.012,17]-octadeca-11(18),12,14,16-tetraen-9-yl)-3-(3-phenyl-1H-pyrrol-1-yl)succinamic acid benzyl esterN-(8-oxo-4-oxa-1,7-diaza-tricyclo[9.6. 1.012,17]octadeca-11 (18),12,14,16-tetraen-9-yl)-3-(3-phenyl-1H-pyrrol-1-yl)succinamic acid benzyl esterN-(8-oxo-4-oxa-1,7-diaza-tricyclo[9.6.1.012,17 ]octadeca-11(18),12,14,16-tetraen-9-yl)-3-(3-phenyl-1H-pyrrol-1-yl)succinamic acid benzyl esterN-(8-oxo-4-oxa-1,7-diaza-tricyclo[9.6.1.012,17]octadeca- 11(18),12,14,16-tetraen-9-yl)-3-(3-phenyl-1H-pyrrol-1-yl)succinamic acid benzyl esterN-(8-oxo-4-oxa-1,7-diaza-tricyclo[9.6.1.012,17]octadeca-11(18), 12,14,16-tetraen-9-yl)-3-(3-phenyl-1H-pyrrol-1-yl)succinamic acid benzyl ester
물성
구조 계산 물성보충 중
- XLogP
- 4.1
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 982
관련 반응
10건
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