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name Structure Reference Source Properties Activities Metabolism

(2S,8S,11S,12R,15R,22S,25R)-15-benzyl-8,22-diisopropyl-12-methyl-13-oxa-20,27-dithia-6,9,16,23,28,29,30-heptaazapentacyclo[23.2.1.1¹¹,¹⁴.1¹⁸,²¹.0²,⁶]triaconta-1(28),14(30),18,21(29)-tetraene-7,10,17,24-tetrone

AlkaPlorer ID: AK000719

Synonym: None

IUPAC Name: (2S,8S,11S,12R,15R,22R,25R)-15-benzyl-12-methyl-8,22-di(propan-2-yl)-13-oxa-20,27-dithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),18,21(29)-tetraene-7,10,17,24-tetrone

Structure

SMILES: CC(C)[C@@H]1N=C(O)[C@H]2N=C(O[C@@H]2C)[C@@H](CC2=CC=CC=C2)N=C(O)C2=CSC(=N2)[C@@H](C(C)C)N=C(O)[C@@H]2CSC(=N2)[C@@H]2CCCN2C1=O

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InChI: InChI=1S/C34H43N7O5S2/c1-17(2)25-33-37-22(16-48-33)28(42)35-21(14-20-10-7-6-8-11-20)31-40-27(19(5)46-31)30(44)39-26(18(3)4)34(45)41-13-9-12-24(41)32-36-23(15-47-32)29(43)38-25/h6-8,10-11,16-19,21,23-27H,9,12-15H2,1-5H3,(H,35,42)(H,38,43)(H,39,44)/t19-,21-,23+,24+,25-,26+,27+/m1/s1

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InChIKey: HZAZEDLRNHGRDX-LMNPSKAISA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Didemnum molle Didemnum Didemnidae Aplousobranchia Ascidiacea Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 693.8959999999998

TPSA？: 164.92000000000002

MolLogP？: 5.398000000000005

Number of H-Donors: 3

Number of H-Acceptors: 10

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information