N-methyl-L-tryptophan

HCID 160511

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기본 정보

CAS: 526-31-8
표준 SMILES: CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIKey: CZCIKBSVHDNIDH-NSHDSACASA-N
분자식: C12H14N2O2
평균 분자량: 218.25 g/mol

개요

N(alpha)-methyl-L-tryptophan is a N-methyl-L-alpha-amino acid that is the Nalpha-methyl derivative of L-tryptophan. It has a role as an Escherichia coli metabolite. It is a N-methyl-L-alpha-amino acid and a L-tryptophan derivative. It is a tautomer of a N(alpha)-methyl-L-tryptophan zwitterion.

이름 및 식별자

우선 이름: N-methyl-L-tryptophan
IUPAC: (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid

이름 및 동의어

AbrineN-Methyl-L-tryptophan526-31-8(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acidN-Methyl-L-tryptophaneP57TWL22IX(2S)-3-(1H-indol-3-yl)-2-(methylazaniumyl)propanoateRefChem:551401208-388-5L-AbrineL-(+)-AbrineMFCD00005645

이름 더 보기

Nalpha-Methyl-L-tryptophanmethyl-l-tryptophanN-Me-Trp-OHN(alpha)-methyl-L-tryptophanN-methyltryptophan(S)-3-(1H-indol-3-yl)-2-methylaminopropionic acidL-Tryptophan, N-methyl-(2S)-3-indol-3-yl-2-(methylamino)propanoic acid

데이터베이스 식별자

CAS: 526-31-8
PubChem CID: 160511
ChEMBL: CHEMBL552941
ChEBI: CHEBI:15334
UNII: P57TWL22IX
EC Number: 208-388-5
Nikkaji: J6.659A

물성

구조 계산 물성보충 중

XLogP: -0.5
극성 표면적: 65.1 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 257

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.