Chemical Compound

(3S)-3-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2R)-2-{[(2S)-1-acetylpyrrolidin-2-yl]formamido}-3-[(acetamidomethyl)sulfanyl]propanamido]-4-methylpentanamido]-3-(hydrazinecarbonyl)propanamido]acetamido}acetamido)-3-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}propanamido]-3-[(acetamidomethyl)sulfanyl]propanamido]-6-aminohexanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid

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(3S)-3-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2R)-2-{[(2S)-1-acetylpyrrolidin-2-yl]formamido}-3-[(acetamidomethyl)sulfanyl]propanamido]-4-methylpentanamido]-3-(hydrazinecarbonyl)propanamido]acetamido}acetamido)-3-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}propanamido]-3-[(acetamidomethyl)sulfanyl]propanamido]-6-aminohexanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid 结构式
Primary record

(3S)-3-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2R)-2-{[(2S)-1-acetylpyrrolidin-2-yl]formamido}-3-[(acetamidomethyl)sulfanyl]propanamido]-4-methylpentanamido]-3-(hydrazinecarbonyl)propanamido]acetamido}acetamido)-3-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}propanamido]-3-[(acetamidomethyl)sulfanyl]propanamido]-6-aminohexanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
10654086
SMILES
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H](C(=O)N[C@@H](CSCNC(=O)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N)NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)NN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCNC(=O)C)NC(=O)[C@@H]2CCCN2C(=O)C)O)O)O
Canonical SMILES
CC(=O)NCSC[C@H](NC(=O)[C@H](CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)NN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(N)=O

名称与同义词

  • CID10654086
  • CID 10654086
  • J695.589D
  • (3S)-3-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2R)-2-{[(2S)-1-acetylpyrrolidin-2-yl]formamido}-3-[(acetamidomethyl)sulfanyl]propanamido]-4-methylpentanamido]-3-(hydrazinecarbonyl)propanamido]acetamido}acetamido)-3-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}propanamido]-3-[(acetamidomethyl)sulfanyl]propanamido]-6-aminohexanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid
  • Ac-L-Pro-S-[(Acetylamino)methyl]-L-Cys-L-Leu-N4-amino-L-Asn-Gly-Gly-O-(alpha-L-fucopyranosyl)-L-Ser-S-[(acetylamino)methyl]-L-Cys-L-Lys-L-Asp-L-Asp-NH2