Name: RR-src
Rating: 5 (10 reviews)

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HIT ID:HIT212709538
Cas No:81156-93-6
常用名:RR-src
IUPAC:(4S)-4-{[(2S,3S)-2-{[(2R)-2-{[(2R)-2-{[(2S)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-1-hydroxy-3-methylpentylidene]amino}-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]butyl]-C-hydroxycarbonimidoyl}ethyl]-C-hydroxycarbonimidoyl}ethyl]-C-hydroxycarbonimidoyl}-2-(4-hydroxyphenyl)ethyl]-C-hydroxycarbonimidoyl}-3-carboxypropyl]-C-hydroxycarbonimidoyl}ethyl]-C-hydroxycarbonimidoyl}-2-carboxyethyl]-C-hydroxycarbonimidoyl}butanoic acid
IUPAC:(4S)-4-{[(2S,3S)-2-{[(2R)-2-{[(2R)-2-{[(2S)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-1-hydroxy-3-methylpentylidene]amino}-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]butyl]-C-hydroxycarbonimidoyl}ethyl]-C-hydroxycarbonimidoyl}ethyl]-C-hydroxycarbonimidoyl}-2-(4-hydroxyphenyl)ethyl]-C-hydroxycarbonimidoyl}-3-carboxypropyl]-C-hydroxycarbonimidoyl}ethyl]-C-hydroxycarbonimidoyl}-2-carboxyethyl]-C-hydroxycarbonimidoyl}butanoic acid
InChI key:KEOPTZKJOKJEIM-VDNREOAASA-N

分子式:C64H106N22O21
分子量:1519.685
氢键供体数 (HBD):27
氢键受体数 (HBA):43
LogP:-3.2060435
SMILES:[H][C@](N)(CCCNC(N)=N)C(O)=N[C@@]([H])(CCCNC(N)=N)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@]([H])(C(O)=N[C@@]([H])(CCC(O)=O)C(O)=N[C@@]([H])(CC(O)=O)C(O)=N[C@@]([H])(C)C(O)=N[C@@]([H])(CCC(O)=O)C(O)=N[C@@]([H])(Cc1ccc(O)cc1)C(O)=N[C@@]([H])(C)C(O)=N[C@@]([H])(C)C(O)=N[C@@]([H])(CCCNC(N)=N)C(O)=NCC(O)=O)[C@@]([H])(C)CC |w:31.31,22.22,10.10,36.36,46.46,55.55,61.61,71.71,84.85,90.91,96.97,110.111|
SMILES:[H][C@](N)(CCCNC(N)=N)C(O)=N[C@@]([H])(CCCNC(N)=N)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@]([H])(C(O)=N[C@@]([H])(CCC(O)=O)C(O)=N[C@@]([H])(CC(O)=O)C(O)=N[C@@]([H])(C)C(O)=N[C@@]([H])(CCC(O)=O)C(O)=N[C@@]([H])(Cc1ccc(O)cc1)C(O)=N[C@@]([H])(C)C(O)=N[C@@]([H])(C)C(O)=N[C@@]([H])(CCCNC(N)=N)C(O)=NCC(O)=O)[C@@]([H])(C)CC |w:31.31,22.22,10.10,36.36,46.46,55.55,61.61,71.71,84.85,90.91,96.97,110.111|

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