CID 91971815

HCID 91971815
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기본 정보

CAS
60731-46-6
표준 SMILES
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O
InChIKey
DDPFHDCZUJFNAT-PZPWKVFESA-N
분자식
C148H244N42O47
평균 분자량
3,363.8 g/mol
단동위원소 질량
3,361.7994031

이름 및 식별자

우선 이름
CID 91971815
IUPAC
(4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,5S,8S,11S,14S,17S)-5-(2-amino-2-oxoethyl)-14-[(1R)-1-hydroxyethyl]-2,11-bis(hydroxymethyl)-8-(2-methylpropyl)-3,6,9,12,15,23-hexaoxo-1,4,7,10,13,16-hexazacyclotricosane-17-carbonyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[(2S)-5-carbamimidamido-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[2-[[(2S,3R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
영어명
Elcatonin
분자식
C148H244N42O47
분자량
3363.78

이름 및 동의어

orb2563769AT41852(Des-Cys1,cyclo(Ser2-Asu?))-Calcitonin (eel)hc-58CalcinilELCATONINTurbocalcinElcatonin RS29-l-alanine-ELCATONIN (EEL)CARBOCALCITONINElcatonin Acetate
이름 더 보기
ELCATONIN, 98.0+%

데이터베이스 식별자

CAS
60731-46-6
PubChem CID
91971815
DTXSID
DTXSID301336592

물성

구조 계산 물성

XLogP
-13.9
극성 표면적
1,440 Ų
수소 결합 공여자 수
49
수소 결합 수용자 수
51
회전 가능 결합 수
98
무거운 원자 수
237

물리화학적 성질

밀도
1.49 · 1.49±0.1 g/cm3(Predicted)
저장 조건
-15 °C · -15°C
InChIKey
DDPFHDCZUJFNAT-KDIBENGQNA-N

화학 및 산업

응용 분야

용도Osteoporosis; Hypercalcemia; Paget’s disease

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北强耀生物科技有限公司18301728382 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]

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