Chemical Compound
(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-[({[(2S,3R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butyl]carbamoyl}pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}pentyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-{[(2S,5S,8S,11S,14S,17S)-14-[(1R)-1-hydroxyethyl]-5,11-bis(hydroxymethyl)-2-methyl-8-(2-methylpropyl)-3,6,9,12,15,23-hexaoxo-1,4,7,10,13,16-hexaazacyclotricosan-17-yl]formamido}-3-methylbutanamido]-4-methylpentanamido]acetamido}
Primary record
(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-[({[(2S,3R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butyl]carbamoyl}pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}pentyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-{[(2S,5S,8S,11S,14S,17S)-14-[(1R)-1-hydroxyethyl]-5,11-bis(hydroxymethyl)-2-methyl-8-(2-methylpropyl)-3,6,9,12,15,23-hexaoxo-1,4,7,10,13,16-hexaazacyclotricosan-17-yl]formamido}-3-methylbutanamido]-4-methylpentanamido]acetamido}
- 库存
- 550 克
- 纯度
- 98.1 %
化合物标识与属性
- PubChem CID
- 177625669
- SMILES
- C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)NC(CCCCCC(=O)N1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(=O)N)[C@@H](C)O)CO)CC(C)C)CO
- Canonical SMILES
- CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C1CCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NC([C@@H](C)O)C(=O)N1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O
名称与同义词
- Avicatonin
- J554.928K
- (4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-[({[(2S,3R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butyl]carbamoyl}pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}pentyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-{[(2S,5S,8S,11S,14S,17S)-14-[(1R)-1-hydroxyethyl]-5,11-bis(hydroxymethyl)-2-methyl-8-(2-methylpropyl)-3,6,9,12,15,23-hexaoxo-1,4,7,10,13,16-hexaazacyclotricosan-17-yl]formamido}-3-methylbutanamido]-4-methylpentanamido]acetamido}
- 2-Deamino-Abu(1)-L-Ala-L-Ser-L-Leu-L-Ser-L-Thr-L-Abu(1)-L-Val-L-Leu-Gly-L-Lys-L-Leu-L-Ser-L-Gln-L-Glu-L-Leu-L-His-L-Lys-L-Leu-L-Gln-L-Thr-L-Tyr-L-Pro-L-Arg-L-Thr-L-Asp-L-Val-Gly-L-Ala-Gly-L-Thr-L-Pro-NH2