Spumigin 638
기본 정보
- 표준 SMILES
CC(=O)OC(Cc1ccc(O)cc1)C(O)=NC(CCc1ccc(O)cc1)C(=O)N1CCCC1C(O)=NC(C=O)CCCNC(=N)N- InChIKey
QBBDUNLTVSKRAQ-UHFFFAOYSA-N- 분자식
- C32H42N6O8
- 평균 분자량
- 638.7 g/mol
- 단동위원소 질량
- 638.3064123
개요
Spumigin 638 is a N-acyl-amino acid.
이름 및 식별자
- 우선 이름
- Spumigin 638
- IUPAC
- [1-[[1-[2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl] acetate
이름 및 동의어
Spumigin 638[1-[[1-[2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl] acetate(1-((1-(2-((5-(diaminomethylideneamino)-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-4-(4-hydroxyphenyl)-1-oxobutan-2-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl) acetate1-(2-((2-(acetyloxy)-1-hydroxy-3-(4-hydroxyphenyl)propylidene)amino)-4-(4-hydroxyphenyl)butanoyl)-N-(5-carbamimidamido-1-oxopentan-2-yl)pyrrolidine-2-carboximidate1-(2-{[2-(acetyloxy)-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-4-(4-hydroxyphenyl)butanoyl)-N-(5-carbamimidamido-1-oxopentan-2-yl)pyrrolidine-2-carboximidateRefChem:185064SPU 6381-((1-(2-((5-guanidino-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-4-(4-hydroxyphenyl)-1-oxobutan-2-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl acetateCHEBI:221543DTXSID001047738
데이터베이스 식별자
- DTXSID
DTXSID001047738- ChEBI
CHEBI:221543
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 227 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,050
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