기본 정보
- CAS
81571-28-0- 표준 SMILES
CCOC(=O)[C@@H](NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32)[C@@H](C)CC- InChIKey
QSTPFUDHVVIGCL-MIESHYDTSA-N- 분자식
- C51H69N5O9
- 평균 분자량
- 896.1 g/mol
- 단동위원소 질량
- 895.5095288
개요
structure given in second source
이름 및 식별자
- 우선 이름
- Vinleucinol
- IUPAC
- methyl (13S,15R,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-[[(2S,3S)-1-ethoxy-3-methyl-1-oxopentan-2-yl]carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
이름 및 동의어
VinleucinolVinleucinolumVinblastine isoleucinateMUJ5BW9BWREthyl N-(O-4-deacetylvinblasin-23-oyl)-L-isoleucinate(23(1S,2S))-4-Deacetyl-3-((1-carboxy-2-methylbutyl)carbamoyl)-3-de(methoxycarbonyl)vincaleukoblastine, ethyl esterVileEvinblastine-isoleucinateV-LEURefChem:194293N-(deacetyl-O-4-vinblastoyl-23)-ethyl isoleucinateN-(deacetyl-O-4-vinblast-23-oyl)-ethyl isoleucinate
이름 더 보기
O(4)-deacetyl-3-de(methoxycarbonyl)-3-(((1-ethoxycarbonyl-2-methylbutyl)amino)carbonyl)vincaleukoblastineVinleucinol [INN]81571-28-0methyl (13S,15R,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-[[(2S,3S)-1-ethoxy-3-methyl-1-oxopentan-2-yl]carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylateVILEUNII-MUJ5BW9BWRVinleucinolum [INN-Latin]CHEMBL3989418
데이터베이스 식별자
- CAS
81571-28-0- PubChem CID
- 10033679
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 177 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 65
- 형식 전하
- 0
- 복잡도
- 1,840
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