Aeruginoguanidine 98-B
기본 정보
- CAS
167289-59-0- 표준 SMILES
CN[C@@H](CCCNC(N)=NC/C=C(/C)CCC=C(C)C)C(=O)N(C)[C@@H](CCCN=C(N)N)C(=O)N[C@H](C)[C@H](OS(=O)(=O)O)c1ccc(OS(=O)(=O)O)c(COS(=O)(=O)O)c1- InChIKey
IHRXSAMVVJTBKE-JDFJJDLRSA-N- 분자식
- C34H59N9O14S3
- 평균 분자량
- 914.1 g/mol
- 단동위원소 질량
- 913.33436111
개요
Aeruginoguanidine 98-B is a dipeptide.
이름 및 식별자
- 우선 이름
- Aeruginoguanidine 98-B
- IUPAC
- [4-[(1R,2R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-[[N'-[(2Z)-3,7-dimethylocta-2,6-dienyl]carbamimidoyl]amino]-2-(methylamino)pentanoyl]-methylamino]pentanoyl]amino]-1-sulfooxypropyl]-2-(sulfooxymethyl)phenyl] hydrogen sulfate
이름 및 동의어
Aeruginoguanidine 98BAeruginoguanidine 98-B(4-((1R,2R)-2-(((2S)-5-(diaminomethylideneamino)-2-(((2S)-5-((N'-((2Z)-3,7-dimethylocta-2,6-dienyl)carbamimidoyl)amino)-2-(methylamino)pentanoyl)-methylamino)pentanoyl)amino)-1-sulfooxypropyl)-2-(sulfooxymethyl)phenyl) hydrogen sulfate[4-[(1R,2R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-[[N'-[(2Z)-3,7-dimethylocta-2,6-dienyl]carbamimidoyl]amino]-2-(methylamino)pentanoyl]-methylamino]pentanoyl]amino]-1-sulfooxypropyl]-2-(sulfooxymethyl)phenyl] hydrogen sulfateRefChem:1098815-((1R,2R,5S,8S,Z)-5-(3-guanidinopropyl)-13-imino-2,6,17,21-tetramethyl-8-(methylamino)-4,7-dioxo-1-(sulfooxy)-3,6,12,14-tetraazadocosa-16,20-dien-1-yl)-2-(sulfooxy)benzyl hydrogen sulfateCHEBI:226290DTXSID601335436167289-59-0[4-[(1R,2R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-[[N'-[(2Z)-3,7-dimethylocta-2,6-dienyl]carbamimidoyl]amino]-2-(methylamino)pentanoyl]-methylamino]pentanoyl]amino]-1-sulooxypropyl]-2-(sulooxymethyl)phenyl] hydrogen sulateN~5~-{N-[(2Z)-3,7-Dimethylocta-2,6-dien-1-yl]carbamimidoyl}-N~2~-methyl-L-ornithyl-N~2~-methyl-N-[(1R,2R)-1-(sulfooxy)-1-{4-(sulfooxy)-3-[(sulfooxy)methyl]phenyl}propan-2-yl]-L-argininamide
물성
구조 계산 물성
- XLogP
- -2.6
- 극성 표면적
- 392 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 28
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,820
관련 반응
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