Biphenomycin C; Hydrochloride (1:3)

AlkaPlorer ID: AK290651

Synonym: None

IUPAC Name: 2-[[2-[[14-amino-11-(3-amino-2-hydroxypropyl)-5,7,17-trihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoic acid

Structure

SMILES: N=C(N)NCCCC(N=C(O)C1N=C(O)C(CC(O)CN)N=C(O)C(N)CC2=CC(=CC=C2O)C2=CC=C(O)C(=C2)C1O)C(O)=NC(CO)C(=O)O

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InChI: InChI=1S/C32H45N9O11/c33-12-17(43)11-21-29(49)41-25(30(50)38-20(2-1-7-37-32(35)36)28(48)40-22(13-42)31(51)52)26(46)18-9-15(4-6-24(18)45)14-3-5-23(44)16(8-14)10-19(34)27(47)39-21/h3-6,8-9,17,19-22,25-26,42-46H,1-2,7,10-13,33-34H2,(H,38,50)(H,39,47)(H,40,48)(H,41,49)(H,51,52)(H4,35,36,37)

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InChIKey: KSORASLRRSMSMP-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 731.7640000000005

TPSA: 382.75000000000006

MolLogP: -0.9681299999999924

Number of H-Donors: 15

Number of H-Acceptors: 13

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information