Name: Onilcamotide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT214322274
Cas No:1164096-85-8
常用名:Onilcamotide
IUPAC:(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2R)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanamido]propanamido]acetamido}-4-methylpentanamido]-4-carbamoylbutanamido]-3-methylbutanamido]-5-carbamimidamidopentanamido]hexanamido]-3-carbamoylpropanamido]hexanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]acetamido}-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-4-methylpentanoic acid
IUPAC:(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2R)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanamido]propanamido]acetamido}-4-methylpentanamido]-4-carbamoylbutanamido]-3-methylbutanamido]-5-carbamimidamidopentanamido]hexanamido]-3-carbamoylpropanamido]hexanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]acetamido}-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-4-methylpentanoic acid
InChI key:BSLDVUIBJUKAAR-GXARRZNISA-N

分子式:C96H177N39O24S
分子量:2293.78
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O

Onilcamotide, a cancer vaccine derived from the C-terminal peptide of the RhoC protein, exhibits potential immunomodulating and antineoplastic activities.

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