N-Carbobenzyloxy-4-keto-L-proline

HCID 11076282CAS 64187-47-9

기본 정보

표준 SMILES: O=C1C[C@@H](C(=O)O)N(C(=O)OCc2ccccc2)C1
InChIKey: RPLLCMZOIFOBIF-NSHDSACASA-N
분자식: C13H13NO5
평균 분자량: 263.25 g/mol
단동위원소 질량: 263.07937252

이름 및 식별자

우선 이름: N-Carbobenzyloxy-4-keto-L-proline
IUPAC: (2S)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
영어명: N-CARBOBENZOXY-4-OXO-L-PROLINE
분자식: C13H13NO5
분자량: 263.25

이름 및 동의어

64187-47-9N-Carbobenzyloxy-4-keto-L-prolineDTXSID30454390RefChem:363640DTXCID10405209RPLLCMZOIFOBIF-NSHDSACASA-NN-Carbobenzoxy-4-oxo-L-proline(S)-1-((Benzyloxy)carbonyl)-4-oxopyrrolidine-2-carboxylic acidMFCD07367987(2S)-1-benzyloxycarbonyl-4-oxo-pyrrolidine-2-carboxylic acid(2S)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid(S)-1-Z-4-OXOPYRROLIDINE-2-CARBOXYLIC ACID

이름 더 보기

(2S)-N-Cbz-4-oxo-L-prolineCarbobenzyloxy-4-keto-L-Proline1-Benzyloxycarbonyl-4-oxo-L-proline1-(Benzyloxycarbonyl)-4-keto-(S)-prolineN-CARBOBENZOXY-4-OXO-L-PROLINE USP/EP/BP

(S)-1-(benzyloxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid(2S)-1-[(benzyloxy)carbonyl]-4-oxopyrrolidine-2-carboxylic acidCarbobenzoxyoxoprolineN-cbz-4-ketoprolineCbz-4-oxo-Pro-OHN-Cbz-4-keto-L-prolineSCHEMBL636520N-CBZ-4-OXO-L-PROLINE

데이터베이스 식별자

CAS: 64187-47-9
PubChem CID: 11076282
DTXSID: DTXSID30454390
EC Number: 693-311-1
Nikkaji: J2.074.393J

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 83.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 19
형식 전하: 0
복잡도: 375

물리화학적 성질

녹는점: 95 ℃ · 95℃
끓는 점: 488.5 · 488.5±45.0 °C(Predicted)
밀도: 1.408 · 1.408±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 3.83 · 3.83±0.20(Predicted)
물리적 상태: 가루
색상: 흰색에서 노란색, 갈색으로
주요 응용: 펩타이드 합성
InChI: 1S/C13H13NO5/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,16,17)/t11-/m0/s1
InChIKey: RPLLCMZOIFOBIF-NSHDSACASA-N
SMILES: OC(=O)[C@@H]1CC(=O)CN1C(=O)OCc2ccccc2

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.