Phenylmethyl (3S)-2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-3-{[(4-{[(phenylmethyl)oxy]carbonyl}phenyl)amino]carbonyl}-1-pyrazolidinecarboxylate

HCID 86706391
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기본 정보

표준 SMILES
O=CN(C[C@@H](CC1CCCC1)C(=O)N1[C@H](C(=O)Nc2ccc(C(=O)OCc3ccccc3)cc2)CCN1C(=O)OCc1ccccc1)OCc1ccccc1
InChIKey
JCLBAFHIIGTOAC-IGHJDKERSA-N
분자식
C43H46N4O8
평균 분자량
746.8 g/mol

이름 및 식별자

우선 이름
Phenylmethyl (3S)-2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-3-{[(4-{[(phenylmethyl)oxy]carbonyl}phenyl)amino]carbonyl}-1-pyrazolidinecarboxylate
IUPAC
benzyl (3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(phenylmethoxy)amino]propanoyl]-3-[(4-phenylmethoxycarbonylphenyl)carbamoyl]pyrazolidine-1-carboxylate

이름 및 동의어

JCLBAFHIIGTOAC-IGHJDKERSA-NPhenylmethyl (3S)-2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-3-{[(4-{[(phenylmethyl)oxy]carbonyl}phenyl)amino]carbonyl}-1-pyrazolidinecarboxylate

데이터베이스 식별자

PubChem CID
86706391

물성

구조 계산 물성

XLogP
7.3
극성 표면적
135 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
17
무거운 원자 수
55

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