N-alpha-Benzyloxycarbonyl-D-valine

HCID 712434CAS 1685-33-2

기본 정보

표준 SMILES: CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O
InChIKey: CANZBRDGRHNSGZ-LLVKDONJSA-N
분자식: C13H17NO4
평균 분자량: 251.28 g/mol

이름 및 식별자

우선 이름: N-alpha-Benzyloxycarbonyl-D-valine
IUPAC: (2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid
영어명: Cbz-D-Valine
분자식: C13H17NO4
분자량: 251.28

이름 및 동의어

1685-33-2RefChem:829005N-alpha-Benzyloxycarbonyl-D-valine861-721-1CBZ-D-VALINEZ-D-Val-OHN-Benzyloxycarbonyl-D-valineCbz-D-Val-OHN-Cbz-D-valineN-Carbobenzoxy-D-valineD-Valine, N-[(phenylmethoxy)carbonyl]-MFCD00065703

이름 더 보기

N-Carbobenzyloxy-D-valineZ-D-ValCBZ-D-VALZ-D-VALINEZ-D-valine99%N-CBZ-D-VAL-OH

(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acidWRJ5TH8NR7((Benzyloxy)carbonyl)-D-valineN-[(benzyloxy) carbonyl]-D-valineAKOS015924216CS-W014621(2R)-2-(benzyloxycarbonylamino)-3-methyl-butanoic acid(2R)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoic acid

데이터베이스 식별자

CAS: 1685-33-2
PubChem CID: 712434
UNII: WRJ5TH8NR7
EC Number: 861-721-1
Nikkaji: J232.239K

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 18
형식 전하: 0
복잡도: 285

물리화학적 성질

녹는점: 58 · 58-60°C
끓는 점: 432.6 · 432.6±38.0 °C(Predicted)
밀도: 1.182 · 1.182±0.06 g/cm3(Predicted)
굴절률: 4 ° · 4 ° (C=2, AcOH)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
물리적 상태: powder to crystal
산도 계수 (pKa): 4 · 4.00±0.10(Predicted)
색상: 흰색에서 거의 흰색
BRN: 2056616 · 2056616
InChI: InChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)/t11-/m1/s1
InChIKey: CANZBRDGRHNSGZ-LLVKDONJSA-N
SMILES: C(O)(=O)[C@@H](C(C)C)NC(OCC1=CC=CC=C1)=O

안전 및 규제

GHS 분류

GHS ClassificationNot Classified

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

HS 번호: 29225090
safety_code: 22-24/25

화학 및 산업

응용 분야 · 1건

용도N-Cbz-D-valine is the N-Cbz-protected form of D-Valine (V094200). D-Valine (an isomer of the essential amino acid L-Valine [V094205])exhibited inhibitory effects on fibroblasts that contaminated mammalian kidney cultures, allowing for selective growth epithelial cells. D-Valine is also known for its presence in the structure of Actinomycin D, an antitumour drug. D-Valine is naturally synthesized by Streptomyces antibioticus.