기본 정보
- CAS
569364-13-2- 표준 SMILES
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)C- InChIKey
YANQFMRESNNLQN-CPPASMBOSA-N- 분자식
- C102H169N27O33
- 평균 분자량
- 2,301.6 g/mol
이름 및 식별자
- 우선 이름
- PEN (rat)
- IUPAC
- (4S)-4-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid
- 영어명
- PEN (rat)
- 분자식
- C102H169N27O33
- 분자량
- 2301.63
이름 및 동의어
PEN (rat)569364-13-2orb1679399EX-A14597TP1951AKOS032962866DA-66557L-Valine, L-alanyl-L-valyl-L-α-aspartyl-L-glutaminyl-L-α-aspartyl-L-leucylglycyl-L-prolyl-L-α-glutamyl-L-valyl-L-prolyl-L-prolyl-L-α-glutamyl-L-asparaginyl-L-valyl-L-leucylglycyl-L-alanyl-L-leucyl-L-leucyl-L-arginyl-
데이터베이스 식별자
- CAS
569364-13-2
물성
구조 계산 물성
- XLogP
- -5.3
- 극성 표면적
- 945 Ų
- 수소 결합 공여자 수
- 29
- 수소 결합 수용자 수
- 35
- 회전 가능 결합 수
- 72
- 무거운 원자 수
- 162
- 형식 전하
- 0
- 복잡도
- 5,270
물리화학적 성질
- 밀도
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
공급사
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공개 문의
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