tert-butyl (2R,5R)-5-(2-{2-[(benzylsulfonyl)amino]phenyl}ethyl)-2-[2-(2-{[N-(methoxycarbonyl)-beta-phenyl-L-phenylalanyl]amino}phenyl)ethyl]morpholine-4-carboxylate

HCID 86726329
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기본 정보

표준 SMILES
COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CCc2ccccc2NS(=O)(=O)Cc2ccccc2)CO1)C(c1ccccc1)c1ccccc1
InChIKey
CWRDNFUOKSQPQC-NELCYSJYSA-N
분자식
C49H56N4O8S
평균 분자량
861.1 g/mol

이름 및 식별자

우선 이름
tert-butyl (2R,5R)-5-(2-{2-[(benzylsulfonyl)amino]phenyl}ethyl)-2-[2-(2-{[N-(methoxycarbonyl)-beta-phenyl-L-phenylalanyl]amino}phenyl)ethyl]morpholine-4-carboxylate
IUPAC
tert-butyl (2R,5R)-5-[2-[2-(benzylsulfonylamino)phenyl]ethyl]-2-[2-[2-[[(2S)-2-(methoxycarbonylamino)-3,3-diphenylpropanoyl]amino]phenyl]ethyl]morpholine-4-carboxylate

이름 및 동의어

CWRDNFUOKSQPQC-NELCYSJYSA-Ntert-butyl (2R,5R)-5-(2-{2-[(benzylsulfonyl)amino]phenyl}ethyl)-2-[2-(2-{[N-(methoxycarbonyl)-beta-phenyl-L-phenylalanyl]amino}phenyl)ethyl]morpholine-4-carboxylate

데이터베이스 식별자

PubChem CID
86726329

물성

구조 계산 물성

XLogP
8.3
극성 표면적
161 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
9
회전 가능 결합 수
19
무거운 원자 수
62

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tert-butyl (2R,5R)-5-(2-{2-[(benzylsulfonyl)amino]phenyl}ethyl)-2-[2-(2-{[N-(methoxycarbonyl)-beta-phenyl-L-phenylalanyl]amino}phenyl)ethyl]morpholine-4-carboxylate (HCID 86726329)｜Huagongshe