[(RS)-4-methyl-2-[[(S)-3-methyl-1-(methylcarbamoyl)butyl]carbamoyl]pentyl][(2-phenylmaleimido)methyl]phosphinic acid methyl ester
기본 정보
- 표준 SMILES
CNC(=O)[C@H](CC(C)C)NC(=O)C(CC(C)C)CP(=O)(CN1C(=O)C=C(c2ccccc2)C1=O)OC- InChIKey
OWLTVZJKOGCTOI-LBQKWAOQSA-N- 분자식
- C26H38N3O6P
- 평균 분자량
- 519.6 g/mol
- 단동위원소 질량
- 519.24982294
이름 및 식별자
- 우선 이름
- [(RS)-4-methyl-2-[[(S)-3-methyl-1-(methylcarbamoyl)butyl]carbamoyl]pentyl][(2-phenylmaleimido)methyl]phosphinic acid methyl ester
- IUPAC
- 2-[[(2,5-dioxo-3-phenylpyrrol-1-yl)methyl-methoxyphosphoryl]methyl]-4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pentanamide
이름 및 동의어
SCHEMBL9503084OWLTVZJKOGCTOI-LBQKWAOQSA-N[(RS) -4-methyl-2-[[(S)-3-methyl-1-(methylcarbamoyl)butyl]carbamoyl]pentyl][(2-phenylmaleimido)methyl]phosphinic acid methyl ester[(RS)-4-methyl-2-[[(S)-3-methyl-1-(methylcarbamoyl)butyl]carbamoyl]pentyl][(2-phenylmaleimido)methyl]phosphinic acid methyl ester
데이터베이스 식별자
- PubChem CID
- 54173205
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 122 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 894
관련 반응
3건
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