Name: BPC 157 acetate(137525-51-0 free base)
Rating: 5 (10 reviews)

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HIT ID:HIT212661709
Cas No:216441-37-1
常用名:BPC 157 acetate(137525-51-0 free base)
常用名:BPC 157 acetate(137525-51-0 free base)
别名:BPC-157 acetate, BPC157 acetate, Bpc-15 acetate, Bpc15 acetate, Bpc 15 acetate
别名:BPC-157 acetate, BPC157 acetate, Bpc-15 acetate, Bpc15 acetate, Bpc 15 acetate
IUPAC:(4S)-5-[(2S)-2-[(2S)-2-[(2S)-2-[({[(2S)-6-amino-1-[(2S)-2-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1S)-2-carboxy-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}methyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-(2-aminoacetamido)-5-oxopentanoic acid; acetic acid
IUPAC:(4S)-5-[(2S)-2-[(2S)-2-[(2S)-2-[({[(2S)-6-amino-1-[(2S)-2-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1S)-2-carboxy-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}methyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-(2-aminoacetamido)-5-oxopentanoic acid; acetic acid
InChI key:LIKSGLHWFDSWDW-OIBXLTBVSA-N

分子式:C64H102N16O24
分子量:1479.608
氢键供体数 (HBD):16
氢键受体数 (HBA):24
LogP:-13.431878
SMILES:CC(O)=O.CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)CN)C(=O)N[C@@H](C(C)C)C(O)=O
SMILES:CC(O)=O.CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)CN)C(=O)N[C@@H](C(C)C)C(O)=O

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