기본 정보
- 표준 SMILES
CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C.CC[C@H](C)[C@H](N)C1=N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1.[Zn]- InChIKey
RAZAUZBLZYJRCV-DNBQMVQJSA-N- 분자식
- C100H157N17O24SZn
- 평균 분자량
- 2,078.9 g/mol
- 단동위원소 질량
- 2,076.059952
이름 및 식별자
- 우선 이름
- Bacitracin Zn Lasalocid
- IUPAC
- (4R)-4-[[(2S)-2-[[(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoyl]amino]-5-[[(2S,3S)-1-[[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid;6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid;zinc
이름 및 동의어
Bacitracin Zn LasalocidRAZAUZBLZYJRCV-DNBQMVQJSA-N
데이터베이스 식별자
- PubChem CID
- 86741798
물성
구조 계산 물성
- 극성 표면적
- 690 Ų
- 수소 결합 공여자 수
- 21
- 수소 결합 수용자 수
- 29
- 회전 가능 결합 수
- 44
- 무거운 원자 수
- 143
- 형식 전하
- 0
- 복잡도
- 3,760
관련 반응
1건
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