(S)-1-[(R)5-(4-cyano-benzyl)-7-(3,5-dichloro-phenyl)-5-methyl-6-oxo-6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid ((R)-5-oxo-tetrahydro-furan-2-ylmethyl)amide

HCID 12136445
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C[C@@]1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCC[C@H]3C(=O)NC[C@H]3CCC(=O)O3)n21
InChIKey
WLOJQFPZQLMARI-FSGGQHMVSA-N
분자식
C30H28Cl2N6O6S
평균 분자량
671.5 g/mol

이름 및 식별자

우선 이름
(S)-1-[(R)5-(4-cyano-benzyl)-7-(3,5-dichloro-phenyl)-5-methyl-6-oxo-6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid ((R)-5-oxo-tetrahydro-furan-2-ylmethyl)amide
IUPAC
(2S)-1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-[[(2R)-5-oxooxolan-2-yl]methyl]pyrrolidine-2-carboxamide

이름 및 동의어

SCHEMBL6253815WLOJQFPZQLMARI-FSGGQHMVSA-N(S)-1-[(R)-5-(4-cyano-benzyl)-7-(3,5-dichloro-phenyl)-5-methyl-6-oxo-6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid ((R)-5-oxo-tetrahydro-furan-2-ylmethyl)-amide(S)-1-[(R)5-(4-cyano-benzyl)-7-(3,5-dichloro-phenyl)-5-methyl-6-oxo-6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid ((R)-5-oxo-tetrahydro-furan-2-ylmethyl)amide

데이터베이스 식별자

PubChem CID
12136445

물성

구조 계산 물성

XLogP
3.7
극성 표면적
163 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
8
무거운 원자 수
45

관련 반응

2건
반응 기록 만들기

화합물 노트

불러오는 중…