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인슐린,(2-니트로-4-아지도페닐아세틸)(B2)-des-Phe(B1)-

insulin, (2-nitro-4-azidophenylacetyl)(B2)-des-Phe(B1)-

HCID 129010897
노트반응
기본 정보개요이름 및 식별자물성관련 반응화합물 노트
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기본 정보

CAS
76688-14-7
표준 SMILES
CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)Cc3ccc(N=[N+]=[N-])cc3[N+](=O)[O-])C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC2=O)NC1=O)C(C)C
InChIKey
NHTISMIYMRERMF-WAHCEDKLSA-N
분자식
C253H372N68O77S6
평균 분자량
5,790 g/mol
단동위원소 질량
5,786.5607969

개요

labeled with 125I

이름 및 식별자

우선 이름
insulin, (2-nitro-4-azidophenylacetyl)(B2)-des-Phe(B1)-
IUPAC
(4S)-4-[[2-[[(1R,6R,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42R,47R,50S,53S,56S,59S,62S,65S,68S,71S,74R,77S,80S,83S,88R)-88-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-6-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-(4-azido-2-nitrophenyl)acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-47-[[(1S)-3-amino-1-carboxy-3-oxopropyl]carbamoyl]-53-(2-amino-2-oxoethyl)-62-(3-amino-3-oxopropyl)-24,56-bis(2-carboxyethyl)-12,71,80-tris(hydroxymethyl)-33,50,65-tris[(4-hydroxyphenyl)methyl]-15-(1H-imidazol-5-ylmethyl)-27,83-dimethyl-18,30,36,59,68-pentakis(2-methylpropyl)-7,10,13,16,19,22,25,28,31,34,37,40,49,52,55,58,61,64,67,70,73,76,79,82,85,87-hexacosaoxo-21,39,77-tri(propan-2-yl)-3,4,44,45,90,91-hexathia-8,11,14,17,20,23,26,29,32,35,38,41,48,51,54,57,60,63,66,69,72,75,78,81,84,86-hexacosazabicyclo[72.11.7]dononacontane-42-carbonyl]amino]acetyl]amino]-5-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-[[(2S)-6-amino-1-[[(1S)-1-carboxyethyl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
현지명
인슐린,(2-니트로-4-아지도페닐아세틸)(B2)-des-Phe(B1)-
영어명
insulin, (2-nitro-4-azidophenylacetyl)(B2)-des-Phe(B1)-
분자식
C253H372N68O77S6
분자량
5790.46018

이름 및 동의어

Napa-DP-insulinNapa-insulin (B29)B2-(2-Nitro-4-azidophenylacetyl)-(B1)-des-phe-insulinInsulin, (2-nitro-4-azidophenylacetyl)(B2)-des-phe(B1)-2-Nitro-4-azidophenylacetyl (B2)des-phenylalanyl (B1)insulinB2-(2-Nitro-4-azidophenylacetyl)-B1-desphenylalanine-insulinInsulin, (2-nitro-4-azidophenylacetyl)(B2)-desphenylalanine(B1)-Insulin, 1B-de-L-phenylalanine-2B-(N-((4-azido-2-nitrophenyl)acetyl)-L-valine)-76688-14-7RefChem:148406인슐린,(2-니트로-4-아지도페닐아세틸)(B2)-des-Phe(B1)-

데이터베이스 식별자

CAS
76688-14-7
PubChem CID
129010897

물성

구조 계산 물성

XLogP
-9.2
극성 표면적
2,440 Ų
수소 결합 공여자 수
75
수소 결합 수용자 수
90
회전 가능 결합 수
176
무거운 원자 수
404
형식 전하
0
복잡도
14,800

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