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
- 형식 전하
- 0
- 복잡도
- 993
관련 반응
5건
연결된 노트
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