기본 정보
- 표준 SMILES
CCCCCCCC(O)=NC(CC(=O)O)C(O)=NC1C(O)=NC(CCCNC(=N)N)C(O)=NC2CCC(O)N(C2=O)C(Cc2ccccc2)C(=O)N(C)C(CCc2ccc(O)cc2)C(O)=NC(C(C)C)C(=O)OC1C- InChIKey
VYXPXPDSGOMRCH-UHFFFAOYSA-N- 분자식
- C52H76N10O13
- 평균 분자량
- 1,049.2 g/mol
- 단동위원소 질량
- 1,048.55933249
개요
Cyanopeptolin CP1048 is a cyclodepsipeptide.
이름 및 식별자
- 우선 이름
- Cyanopeptolin CP1048
- IUPAC
- 4-[[2-benzyl-15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]-4,11-dimethyl-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-(octanoylamino)-4-oxobutanoic acid
이름 및 동의어
Cyanopeptolin CP10484-[[2-benzyl-15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]-4,11-dimethyl-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-(octanoylamino)-4-oxobutanoic acid4-((2-benzyl-15-(3-(diaminomethylideneamino)propyl)-21-hydroxy-5-(2-(4-hydroxyphenyl)ethyl)-4,11-dimethyl-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-(octanoylamino)-4-oxobutanoic acid4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo(16.3.1)docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acidRefChem:129099CP1048CHEBI:221603DTXSID501047945
데이터베이스 식별자
- DTXSID
DTXSID501047945- ChEBI
CHEBI:221603
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 355 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 21
- 무거운 원자 수
- 75
- 형식 전하
- 0
- 복잡도
- 1,970
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