3-[[[[4'-[[2-[(tert-butoxycarbonyl)-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]amino]-3-isobutoxy-4-biphenylyl]carbonyl]amino]sulfonyl]propyl acetate (HCID 67097524)

기본 정보

표준 SMILES: CC(=O)OCCCS(=O)(=O)NC(=O)c1ccc(-c2ccc(NCCN(C[C@H](O)c3cccc(Cl)c3)C(=O)OC(C)(C)C)cc2)cc1OCC(C)C
InChIKey: SBCAKUDDTPMGIR-XIFFEERXSA-N
분자식: C37H48ClN3O9S
평균 분자량: 746.3 g/mol
단동위원소 질량: 745.279979

이름 및 식별자

우선 이름: 3-[[[[4'-[[2-[(tert-butoxycarbonyl)-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]amino]-3-isobutoxy-4-biphenylyl]carbonyl]amino]sulfonyl]propyl acetate
IUPAC: 3-[[4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]phenyl]-2-(2-methylpropoxy)benzoyl]sulfamoyl]propyl acetate

이름 및 동의어

SCHEMBL1621597SBCAKUDDTPMGIR-XIFFEERXSA-N3-[[[[4'-[[2-[(tert-butoxycarbonyl)-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]-amino]-3-isobutoxy-4-biphenylyl]carbonyl]amino]sulfonyl]-propyl acetate3-[[[[4'-[[2-[(tert-butoxycarbonyl)-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]amino]-3-isobutoxy-4-biphenylyl]carbonyl]amino]sulfonyl]propyl acetate3-[[[[4'-[[2-[(tert-butoxycarbonyl)[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-ethyl]amino]-3-isobutoxy-4-biphenylyl]carbonyl]amino]-sulfonyl]propyl acetate3-[[[[4'-[[2-[(tert-butoxycarbonyl)[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]amino]-3-isobutoxy-4-biphenylyl]carbonyl]amino]sulfonyl]propyl acetate

데이터베이스 식별자

PubChem CID: 67097524

물성

구조 계산 물성

XLogP: 6.3
극성 표면적: 169 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 10
회전 가능 결합 수: 20
무거운 원자 수: 51
형식 전하: 0
복잡도: 1,200

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