Name: Leucokinin I acetate
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT214432411
Cas No:2922280-47-3
常用名:Leucokinin I acetate
别名:Leucokinin I acetate(104600-89-7 Free base)
别名:Leucokinin I acetate(104600-89-7 Free base)
IUPAC:(3S)-3-amino-4-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-[(carbamoylmethyl)carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-2-phenylethyl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid; acetic acid
IUPAC:(3S)-3-amino-4-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-[(carbamoylmethyl)carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-2-phenylethyl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid; acetic acid
InChI key:BPDNPIYRKMAUSW-YGUWJHMBSA-N

分子式:C43H57N11O14
分子量:951.992
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(O)=O.C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
SMILES:CC(O)=O.C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O

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