L-Pyrrolysine

HCID 5460671

기본 정보

CAS: 448235-52-7
표준 SMILES: C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@H](N)C(=O)O
InChIKey: ZFOMKMMPBOQKMC-KXUCPTDWSA-N
분자식: C12H21N3O3
평균 분자량: 255.31 g/mol
단동위원소 질량: 255.15829153

개요

L-pyrrolysine is a N6-acyl-L-lysine having (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-ylcarbonyl as the N6-acyl group. It is a N(6)-acyl-L-lysine, a proteinogenic amino acid and a pyrrolysine. It is a conjugate base of a L-pyrrolysinium. It is a tautomer of a L-pyrrolysine zwitterion.

이름 및 식별자

우선 이름: L-Pyrrolysine
IUPAC: (2S)-2-amino-6-[[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]hexanoic acid
영어명: L-Pyrrolysine
분자식: C12H21N3O3
분자량: 255.31

이름 및 동의어

l-pyrrolysine448235-52-7CHEBI:21860DTXSID70420110N6-(4-methyl-delta-1-pyrroline-5-carboxyl)-L-lysineN6-(4-methyl-1,2-didehydropyrrolidine-5-carboxyl)-L-lysineN6-((2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-ylcarbonyl)-L-lysineN(6)-{[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]carbonyl}-L-lysine(2S)-2-amino-6-[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-ylcarbonyl]aminohexanoic acidN(6)-(((2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl)carbonyl)-L-lysine(2S)-2-amino-6-((2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-ylcarbonyl)aminohexanoic acidRefChem:1088267

이름 더 보기

L-Lysine, N6-[(3R)-1,5-didehydro-3-methyl-D-prolyl]-(2S)-2-amino-6-[[(2R,3R)-3-methyl-3,4-dihydro-2~{H}-pyrrole-2-carbonyl]amino]hexanoic acid

DTXCID00370957(2S)-2-amino-6-[[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]hexanoic acidN6-(((2R,3R)-3-Methyl-3,4-dihydro-2H-pyrrol-2-yl)carbonyl)-L-lysineUNII-H3214Y96LPPYRROLYSINE [MI]SCHEMBL43610orb1706148ZFOMKMMPBOQKMC-KXUCPTDWSA-N

데이터베이스 식별자

CAS: 448235-52-7
PubChem CID: 5460671
DTXSID: DTXSID70420110
ChEBI: CHEBI:21860
UNII: H3214Y96LP
Nikkaji: J1.761.123B

물성

구조 계산 물성

XLogP: -2.8
극성 표면적: 105 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 18
형식 전하: 0
복잡도: 331

물리화학적 성질

끓는 점: 546.9 · 546.9±50.0 °C(Predicted)
밀도: 1.31 · 1.31±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: DMSO에 용해됨
산도 계수 (pKa): 2.52 · 2.52±0.24(Predicted)

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

공급사10 곳

VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]

淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]

PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]

上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]

上海立崎生物医学研究中心18014399201 · [email protected]

추가 설명

정의ChEBI: A N6-acyl-L-lysine having (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-ylcarbonyl as the N6-acyl group.

화합물 노트

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