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Xentrivalpeptide N

AlkaPlorer ID: AK046712

Synonym: None

IUPAC Name: (2S)-N-[(3R,6S,7R,10S,13S,16S,19S)-3-benzyl-13-butan-2-yl-7-methyl-2,5,9,12,15,18-hexaoxo-10,16-di(propan-2-yl)-8-oxa-1,4,11,14,17-pentazabicyclo[17.3.0]docosan-6-yl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide

Structure

SMILES: CCC(C)[C@@H]1N=C(O)[C@H](C(C)C)N=C(O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)CC2=CC=CC=C2)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N=C1O

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InChI: InChI=1S/C47H67N7O9/c1-10-29(8)39-44(59)51-38(28(6)7)47(62)63-30(9)40(53-42(57)36(26(2)3)49-35(55)25-32-20-15-12-16-21-32)45(60)48-33(24-31-18-13-11-14-19-31)46(61)54-23-17-22-34(54)41(56)50-37(27(4)5)43(58)52-39/h11-16,18-21,26-30,33-34,36-40H,10,17,22-25H2,1-9H3,(H,48,60)(H,49,55)(H,50,56)(H,51,59)(H,52,58)(H,53,57)/t29?,30-,33-,34+,36+,37+,38+,39+,40+/m1/s1

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InChIKey: ZEHNAAMWUGMSJI-DKTBIUJPSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Xenorhabdus sp. Xenorhabdus Morganellaceae Enterobacterales Gammaproteobacteria Pseudomonadota None Bacteria

Properties Information

Molecule Weight: 874.093

TPSA？: 242.14999999999995

MolLogP？: 7.372800000000006

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information