기본 정보
- 표준 SMILES
COC(=O)c1cccc(COC[C@H](C#N)NC(=O)[C@H](Cc2cccc(C)c2)NC(=O)C(c2ccccc2)c2ccccc2)c1- InChIKey
LXZIWFHPXKJKGS-ACHIHNKUSA-N- 분자식
- C36H35N3O5
- 평균 분자량
- 589.7 g/mol
이름 및 식별자
- 우선 이름
- N-[2-[(3-(methoxycarbonyl)phenyl)methoxy]-1(S)-cyanoethyl]-3-methyl-Nalpha-(2,2-diphenylacetyl)-L-phenylalaninamide
- IUPAC
- methyl 3-[[(2S)-2-cyano-2-[[(2S)-2-[(2,2-diphenylacetyl)amino]-3-(3-methylphenyl)propanoyl]amino]ethoxy]methyl]benzoate
이름 및 동의어
LXZIWFHPXKJKGS-ACHIHNKUSA-NN-[2-[(3-(methoxy-carbonyl)-phenyl)-methoxy]-1(S)-cyanoethyl]-3-methyl-Nalpha-(2,2-diphenylacetyl )-L-phenyl-alaninamideN-[2-[(3-(methoxy-carbonyl)-phenyl)-methoxy]-1(S)-cyanoethyl]-3-methyl-Nalpha-(2,2-diphenylacetyl)-L-phenyl-alaninamideN-[2-[(3-(methoxycarbonyl)phenyl)methoxy]-1(S)-cyanoethyl]-3-methyl-Nalpha-(2,2-diphenylacetyl)-L-phenylalaninamideN-[2-[(3-(methoxycarbonyl)phenyl)methoxy]-l (S)-cyanoethyl]-3-methyl-Nalpha-(2,2-diphenylacetyl)-L-phenylalaninamide
데이터베이스 식별자
- PubChem CID
- 86608564
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 948
관련 반응
2건
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