기본 정보
- CAS
1393526-27-6- 표준 SMILES
C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C- InChIKey
JVGZZTIFWWWSIC-KUOJBGIXSA-N- 분자식
- C51H70N10O12
- 평균 분자량
- 1,015.2 g/mol
- 단동위원소 질량
- 1,014.51746771
개요
[D-Asp(3)]MC-RF has been reported in Microcystis aeruginosa with data available.
이름 및 식별자
- 우선 이름
- (D-Asp(3))MC-RF
- IUPAC
- (5R,8S,11R,15S,18S,19S,22R)-15-benzyl-8-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
이름 및 동의어
[D-Asp(3)]MC-RF(D-Asp(3))MC-RF(5R,8S,11R,15S,18S,19S,22R)-15-benzyl-8-(3-(diaminomethylideneamino)propyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl)-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid(5R,8S,11R,15S,18S,19S,22R)-15-benzyl-8-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acidRefChem:210321DTXSID801335620NS00114506(5R,8S,11R,15S,18S,19S,22R)-15-Benzyl-8-(3-carbamimidamidopropyl)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid1393526-27-6
데이터베이스 식별자
- CAS
1393526-27-6- PubChem CID
- 155802143
- DTXSID
DTXSID801335620
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 343 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 73
- 형식 전하
- 0
- 복잡도
- 2,040
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