Name: CGRP 8-37 (rat)
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213828354
Cas No:129121-73-9
常用名:CGRP 8-37 (rat)
IUPAC:(4S)-4-[(2S)-2-{2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S,3R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-3-carboxy-2-[(2S)-2,6-diaminohexanamido]propanamido]propanamido]-3-phenylpropanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanamido]propanamido]-3-methylbutanamido]acetamido}-3-hydroxypropanamido]-4-{[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid
IUPAC:(4S)-4-[(2S)-2-{2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S,3R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-3-carboxy-2-[(2S)-2,6-diaminohexanamido]propanamido]propanamido]-3-phenylpropanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanamido]propanamido]-3-methylbutanamido]acetamido}-3-hydroxypropanamido]-4-{[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid
InChI key:JDDVUJLHVAPYQV-NJAFSGPCSA-N

分子式:C68H102N18O22
分子量:1523.668
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

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