Malpinin D

AlkaPlorer ID: AK118476

Synonym: None

IUPAC Name: (2R)-2-[[(E)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]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](N=C(O)[C@@H](CCCNC(=N)N)N=C(O)[C@H](N=C(C)O)C(C)C)C(C)C)C(O)=N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O

copy

InChI: InChI=1S/C42H58N10O8/c1-7-29(36(54)51-33(41(59)60)21-27-22-46-30-17-12-11-16-28(27)30)48-38(56)32(20-26-14-9-8-10-15-26)50-40(58)35(24(4)5)52-37(55)31(18-13-19-45-42(43)44)49-39(57)34(23(2)3)47-25(6)53/h7-12,14-17,22-24,31-35,46H,13,18-21H2,1-6H3,(H,47,53)(H,48,56)(H,49,57)(H,50,58)(H,51,54)(H,52,55)(H,59,60)(H4,43,44,45)/b29-7+/t31-,32+,33-,34-,35-/m1/s1

copy

InChIKey: JHQGBSNJGUUSJS-BOJMFMCZSA-N

copy

Source

Properties Information

Molecule Weight: 830.988

TPSA: 310.53000000000003

MolLogP: 6.118670000000008

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