Name: Relacidine B
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT219159123
Cas No:
常用名:Relacidine B
别名:Relacidine-B, RelacidineB
IUPAC:N-[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-4-amino-1-{[(1S)-4-amino-1-[({[(1R)-4-amino-1-{[(1S)-1-{[(3S,6S,9S,15S,16R)-12-[(2S)-butan-2-yl]-9-(carbamoylmethyl)-6-(hydroxymethyl)-3,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}methyl)carbamoyl]butyl]carbamoyl}butyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]-4-methylhexanamide
IUPAC:N-[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-4-amino-1-{[(1S)-4-amino-1-[({[(1R)-4-amino-1-{[(1S)-1-{[(3S,6S,9S,15S,16R)-12-[(2S)-butan-2-yl]-9-(carbamoylmethyl)-6-(hydroxymethyl)-3,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}methyl)carbamoyl]butyl]carbamoyl}butyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]-4-methylhexanamide
InChI key:SLIDJTHNEAILBF-JOJZUNJZSA-N

分子式:C78H113N19O19
分子量:1620.876
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(C)CCC(=O)N[C@H](CO)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN)C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)C(NC1=O)[C@@H](C)CC
SMILES:CCC(C)CCC(=O)N[C@H](CO)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN)C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)C(NC1=O)[C@@H](C)CC

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