(2S)-3-[5-(carboxymethyloxy)-1H-indol-3-yl]-2-[[1-cyclohexyl-2-(3-furyl)-6-methyl-benzimidazole-5-carbonyl]amino]propanoic acid (HCID 16727481)

기본 정보

표준 SMILES: Cc1cc2c(cc1C(=O)N[C@@H](Cc1c[nH]c3ccc(OCC(=O)O)cc13)C(=O)O)nc(-c1ccoc1)n2C1CCCCC1
InChIKey: VDMMTJFWQUWSJL-MHZLTWQESA-N
분자식: C32H32N4O7
평균 분자량: 584.6 g/mol
단동위원소 질량: 584.22709937

이름 및 식별자

우선 이름: (2S)-3-[5-(carboxymethyloxy)-1H-indol-3-yl]-2-[[1-cyclohexyl-2-(3-furyl)-6-methyl-benzimidazole-5-carbonyl]amino]propanoic acid
IUPAC: (2S)-3-[5-(carboxymethoxy)-1H-indol-3-yl]-2-[[1-cyclohexyl-2-(furan-3-yl)-6-methylbenzimidazole-5-carbonyl]amino]propanoic acid

이름 및 동의어

SCHEMBL5111897VDMMTJFWQUWSJL-MHZLTWQESA-N(2S)-3-[5-(Carboxymethoxy)indol-3-yl]-2-[(1-cyclohexyl-2-(3-furyl)benzimidazol-5-yl)carbonylamino]propanoic acid(2S)-3-[5-(carboxymethyloxy)-1H-indol-3-yl]-2-[[1-cyclohexyl-2-(3-furyl)-6-methyl-benzimidazole-5-carbonyl]amino]propanoic acid(S)-3-(5-Carboxymethoxy-1H-indol-3-yl)-2-{[1-(1-cyclohexyl-2-furan-3-yl-6-methyl-1H-benzimidazol-5-yl)-methanoyl]-amino}-propionic acid

데이터베이스 식별자

PubChem CID: 16727481

물성

구조 계산 물성

XLogP: 4.8
극성 표면적: 160 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 8
회전 가능 결합 수: 10
무거운 원자 수: 43
형식 전하: 0
복잡도: 1,010

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