Rimosamide A

AlkaPlorer ID: AK066852

Synonym: None

IUPAC Name: (3S)-3-[(2S,3R)-3-acetyloxy-1-[(2S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]-3-[(2S)-2-[[2-(2-methylpropanoylamino)acetyl]amino]-3-phenylpropanoyl]oxypropanoic acid

Structure

SMILES: CCC(C)[C@H](N)C(=O)N1CC[C@@H](OC(C)=O)[C@H]1[C@H](CC(=O)O)OC(=O)[C@H](CC1=CC=CC=C1)N=C(O)CN=C(O)C(C)C

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InChI: InChI=1S/C30H44N4O9/c1-6-18(4)26(31)29(40)34-13-12-22(42-19(5)35)27(34)23(15-25(37)38)43-30(41)21(14-20-10-8-7-9-11-20)33-24(36)16-32-28(39)17(2)3/h7-11,17-18,21-23,26-27H,6,12-16,31H2,1-5H3,(H,32,39)(H,33,36)(H,37,38)/t18?,21-,22+,23-,26-,27-/m0/s1

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InChIKey: OOZXZLMNWFHGNB-NZEUKUFQSA-N

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Source

Properties Information

Molecule Weight: 604.7010000000001

TPSA: 201.41

MolLogP: 2.4592000000000045

Number of H-Donors: 4

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information