Name: MCA-SEVNLDAEFR-K(Dnp)-RR, amide
Rating: 5 (10 reviews)

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HIT ID:HIT218851902
Cas No:438625-61-7
常用名:MCA-SEVNLDAEFR-K(Dnp)-RR, amide
IUPAC:(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]carbamoyl}-5-[(2,4-dinitrophenyl)amino]pentyl]carbamoyl}butyl]carbamoyl}-2-phenylethyl]carbamoyl}-3-carboxypropyl]carbamoyl}ethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(2S)-3-hydroxy-2-[2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetamido]propanamido]butanoic acid
IUPAC:(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]carbamoyl}-5-[(2,4-dinitrophenyl)amino]pentyl]carbamoyl}butyl]carbamoyl}-2-phenylethyl]carbamoyl}-3-carboxypropyl]carbamoyl}ethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(2S)-3-hydroxy-2-[2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetamido]propanamido]butanoic acid
InChI key:JMWOZBSRBQMNRH-UMYXCNLASA-N

分子式:C86H125N27O29
分子量:2001.106
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1ccc2c(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)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](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCNc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)cc(=O)oc2c1
SMILES:COc1ccc2c(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)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](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCNc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)cc(=O)oc2c1

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