L-Proline, 1-(3-((4-amino-2-((2-naphthalenylcarbonyl)amino)-1,4-dioxobutyl)amino)-2-hydroxy-4-phenylbutyl)-, 1,1-dimethylethyl ester, (2R-(2R*,3S*(S*)))-

HCID 451725CAS 127749-96-6

기본 정보

표준 SMILES
CC(C)(C)OC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2c1
InChIKey
KOLLFWOTBZCTDF-XFTNXAEASA-N
분자식
C34H42N4O6
평균 분자량
602.7 g/mol
단동위원소 질량
602.31043506

이름 및 식별자

우선 이름
L-Proline, 1-(3-((4-amino-2-((2-naphthalenylcarbonyl)amino)-1,4-dioxobutyl)amino)-2-hydroxy-4-phenylbutyl)-, 1,1-dimethylethyl ester, (2R-(2R*,3S*(S*)))-
IUPAC
tert-butyl (2S)-1-[(2R,3S)-3-[[(2S)-4-amino-2-(naphthalene-2-carbonylamino)-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylate

이름 및 동의어

127749-96-62NaphCOAsnPhe(CHOHCH2)Pro-OtBuL-Proline, 1-(3-((4-amino-2-((2-naphthalenylcarbonyl)amino)-1,4-dioxobutyl)amino)-2-hydroxy-4-phenylbutyl)-, 1,1-dimethylethyl ester, (2R-(2R*,3S*(S*)))-2NaphCOAsnPhe[CHOHCH2]Pro-OtBuL-Proline, 1-[3-[[4-amino-2-[(2-naphthalenylcarbonyl)amino]-1,4-dioxobutyl]amino]-2-hydroxy-4-phenylbutyl]-, 1,1-dimethylethyl ester, [2R-[2R*,3S*(S*)]]-SCHEMBL7273882SCHEMBL30146558DTXSID50155655KOLLFWOTBZCTDF-XFTNXAEASA-NN-[2(R)-hydroxy-3(S)-[[N-(2-naphthoyl)-L-asparaginyl]amino]-4-phenylbutyl]-L-proline tert.butyl estertert-butyl (2S)-1-[(2R,3S)-3-[[(2S)-4-amino-2-(naphthalene-2-carbonylamino)-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carboxylatetert-Butyl 1-[(2R,3S)-2-hydroxy-3-{[N~2~-(naphthalene-2-carbonyl)-L-asparaginyl]amino}-4-phenylbutyl]-L-prolinate

데이터베이스 식별자

CAS
127749-96-6
PubChem CID
451725
DTXSID
DTXSID50155655

물성

구조 계산 물성

XLogP
3.5
극성 표면적
151 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
7
회전 가능 결합 수
14
무거운 원자 수
44

관련 반응

5건

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