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Adda-D-Glu(γ)-Mdhb-D-MeAsp(β)-L-Arg-OH

AlkaPlorer ID: AK062665

Synonym: None

IUPAC Name: (2R,3S)-2-[2-[[(2R)-2-[[(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoyl]amino]-4-carboxybutanoyl]-methylamino]but-3-enoylamino]-4-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-3-methyl-4-oxobutanoic acid

Structure

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

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InChI: InChI=1S/C41H62N8O11/c1-8-31(37(54)48-34(40(58)59)26(5)36(53)47-30(39(56)57)15-12-20-45-41(43)44)49(6)38(55)29(18-19-33(50)51)46-35(52)25(4)28(42)17-16-23(2)21-24(3)32(60-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-32,34H,1,12,15,18-20,22,42H2,2-7H3,(H,46,52)(H,47,53)(H,48,54)(H,50,51)(H,56,57)(H,58,59)(H4,43,44,45)/b17-16+,23-21+/t24-,25-,26-,28-,29+,30-,31?,32-,34+/m0/s1

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InChIKey: BPYZNWNSSMCXAU-JDTMAKLZSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Nodularia spumigena Nodularia Aphanizomenonaceae Nostocales Cyanophyceae Cyanobacteriota None Bacteria

Properties Information

Molecule Weight: 842.9920000000001

TPSA？: 327.13000000000005

MolLogP？: 3.2677700000000085

Number of H-Donors: 10

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information