Malpinin C

AlkaPlorer ID: AK118471

Synonym: None

IUPAC Name: (2R)-2-[[(E)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]but-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Structure

SMILES: C/C=C(/N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)[C@@H](CC(C)C)N=C(O)[C@@H](CCCNC(=N)N)N=C(O)[C@H](N=C(C)O)C(C)C)C(O)=N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O

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InChI: InChI=1S/C43H60N10O8/c1-7-30(37(55)53-35(42(60)61)22-28-23-47-31-17-12-11-16-29(28)31)49-40(58)34(21-27-14-9-8-10-15-27)52-39(57)33(20-24(2)3)51-38(56)32(18-13-19-46-43(44)45)50-41(59)36(25(4)5)48-26(6)54/h7-12,14-17,23-25,32-36,47H,13,18-22H2,1-6H3,(H,48,54)(H,49,58)(H,50,59)(H,51,56)(H,52,57)(H,53,55)(H,60,61)(H4,44,45,46)/b30-7+/t32-,33-,34+,35-,36-/m1/s1

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InChIKey: XCVHSSASPGZJER-FGMZNJCXSA-N

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Source

Properties Information

Molecule Weight: 845.0150000000001

TPSA: 310.53000000000003

MolLogP: 6.508770000000006

Number of H-Donors: 11

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information