기본 정보
- CAS
120177-69-7- 표준 SMILES
C=C1Oc2cc(OC)cc(C(=O)O[C@H]3COC(=O)C[C@H](N)c4cc(O)c(c(Cl)c4)O[C@@H]4C#C/C=C/3C#CC3=CC=C[C@@]34O[C@@H]3OC(C)(C)[C@@H](N(C)C)[C@@H](O)[C@H]3O)c2NC1=O- InChIKey
DGGZCXUXASNDAC-QQNGCVSVSA-N- 분자식
- C43H42ClN3O13
- 평균 분자량
- 844.3 g/mol
- 단동위원소 질량
- 843.2406161
개요
C-1027 has been reported in Streptomyces globisporus with data available.
이름 및 식별자
- 우선 이름
- C-1027
- IUPAC
- [(1R,7S,12R,13E,20R)-7-amino-4-chloro-20-[(2S,3R,4R,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy-25-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.23,6.016,20]pentacosa-3(25),4,6(24),13(23),16,18-hexaen-14,21-diyn-12-yl] 7-methoxy-2-methylidene-3-oxo-4H-1,4-benzoxazine-5-carboxylate
이름 및 동의어
C-1027lidamycinAntibiotic C-1027[(1R,7S,12R,13E,20R)-7-Amino-4-chloro-20-[(2S,3R,4R,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy-25-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.23,6.016,20]pentacosa-3(25),4,6(24),13(23),16,18-hexaen-14,21-diyn-12-yl] 7-methoxy-2-methylidene-3-oxo-4H-1,4-benzoxazine-5-carboxylate((1R,7S,12R,13E,20R)-7-amino-4-chloro-20-((2S,3R,4R,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl)oxy-25-hydroxy-9-oxo-2,10-dioxatetracyclo(11.7.3.23,6.016,20)pentacosa-3(25),4,6(24),13(23),16,18-hexaen-14,21-diyn-12-yl) 7-methoxy-2-methylidene-3-oxo-4H-1,4-benzoxazine-5-carboxylate(1R,7S,12R,13E,20R)-7-Amino-4-chloro-20-(((2S,3R,4R,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl)oxy)-25-hydroxy-9-oxo-2,10-dioxatetracyclo(11.7.3.2,.0,)pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-2H-1,4-benzoxazine-5-carboxylic acid(1R,7S,12R,13E,20R)-7-Amino-4-chloro-20-{[(2S,3R,4R,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-25-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2,.0,]pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-2H-1,4-benzoxazine-5-carboxylic acid
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 218 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,970
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationChemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
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