기본 정보
- CAS
83996-50-3- 표준 SMILES
CCOC(=O)[C@H](CCSC)CC(=O)[C@H](Cc1cccc(N(CCCl)CCCl)c1)NC(=O)[C@@H](N)Cc1ccc(F)cc1.Cl- InChIKey
GLFJQXMGTAJTGY-AVBZIYQWSA-N- 분자식
- C30H41Cl3FN3O4S
- 평균 분자량
- 665.1 g/mol
- 단동위원소 질량
- 663.186739
이름 및 식별자
- 우선 이름
- 2-Amino-N-(1-(3-(bis(2-chloroethyl)amino)phenyl)-5-(ethoxycarbonyl)-7-(methylsulfanyl)-3-oxoheptan-2-yl)-3-(4-fluorophenyl)propanimidic acid--hydrogen chloride (1/1)
- IUPAC
- ethyl (2S,5S)-5-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]-6-[3-[bis(2-chloroethyl)amino]phenyl]-2-(2-methylsulfanylethyl)-4-oxohexanoate;hydrochloride
- 현지명
- 맘바무스틴
- 영어명
- ambamustine
- 분자식
- C30H41Cl3FN3O4S
- 분자량
- 665.0866432
이름 및 동의어
DTXSID2010042552-Amino-N-(1-(3-(bis(2-chloroethyl)amino)phenyl)-5-(ethoxycarbonyl)-7-(methylsulfanyl)-3-oxoheptan-2-yl)-3-(4-fluorophenyl)propanimidic acid--hydrogen chloride (1/1)2-Amino-N-[1-{3-[bis(2-chloroethyl)amino]phenyl}-5-(ethoxycarbonyl)-7-(methylsulfanyl)-3-oxoheptan-2-yl]-3-(4-fluorophenyl)propanimidic acid--hydrogen chloride (1/1)RefChem:1062222DTXCID30143115883996-50-3ethyl (2S,5S)-5-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]-6-[3-[bis(2-chloroethyl)amino]phenyl]-2-(2-methylsulfanylethyl)-4-oxohexanoate;hydrochloridePtt 119CCRIS 1548PT 119L-Methionine, N-(3-(bis(2-chloroethyl)amino)-N-(4-fluoro-L-phenylalanyl)-L-phenylalanyl)-, ethyl ester, monohydrochlorideSCHEMBL29376569
이름 더 보기
맘바무스틴Ptt-119Ambamustine HClAmbamustine hydrochloride
ethyl (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylsulfanylbutanoate;hydrochloride(2S)-2-Amino-N-[(2S,5S)-1-{3-[bis(2-chloroethyl)amino]phenyl}-5-(ethoxycarbonyl)-7-(methylsulfanyl)-3-oxoheptan-2-yl]-3-(4-fluorophenyl)propanimidic acid--hydrogen chloride (1/1)
물성
구조 계산 물성
- 극성 표면적
- 127 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 785
화학 및 산업
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