기본 정보
- 표준 SMILES
CN[C@H](CCCCCCCCl)[C@@H](O)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)OC- InChIKey
BCSACAJIXMDUHU-OBWIRWOGSA-N- 분자식
- C42H62ClN5O9
- 평균 분자량
- 816.4 g/mol
- 단동위원소 질량
- 815.42360624
개요
Microginin KR815 is a peptide.
이름 및 식별자
- 우선 이름
- Microginin KR815
- IUPAC
- methyl (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R,3R)-10-chloro-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate
이름 및 동의어
Microginin KR815methyl (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R,3R)-10-chloro-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate(2S)-1-((2S)-2-((2S)-2-(((2R,3R)-10-chloro-1,2-dihydroxy-3-(methylamino)decylidene)amino)-3-(4-hydroxyphenyl)-N-methylpropanamido)-4-methylpentanoyl)-N-((2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl)pyrrolidine-2-carboximidate(2S)-1-[(2S)-2-[(2S)-2-{[(2R,3R)-10-chloro-1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-N-methylpropanamido]-4-methylpentanoyl]-N-[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]pyrrolidine-2-carboximidatemethyl (2S)-2-(((2S)-1-((2S)-2-(((2S)-2-(((2R,3R)-10-chloro-2-hydroxy-3-(methylamino)decanoyl)amino)-3-(4-hydroxyphenyl)propanoyl)-methylamino)-4-methylpentanoyl)pyrrolidine-2-carbonyl)amino)-3-(4-hydroxyphenyl)propanoateRefChem:158657CHEBI:213807
데이터베이스 식별자
- ChEBI
CHEBI:213807
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 198 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 24
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,260
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