(-)-(2S,3S,4R)-10-de-O-carbamoyl-12-O-carbamoylstreptothricin E

AlkaPlorer ID: AK022630

Synonym: None

IUPAC Name: [6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3R)-3-amino-6-[[(3R)-3,6-diaminohexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate

Structure

SMILES: N=C(O)OC1C(CO)OC(NC2=N[C@@H]3[C@H](O)CN=C(O)[C@H]3N2)C(N=C(O)C[C@H](N)CCCN=C(O)C[C@H](N)CCCN)C1O

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InChI: InChI=1S/C25H46N10O9/c26-5-1-3-11(27)7-15(38)30-6-2-4-12(28)8-16(39)32-19-20(40)21(44-24(29)42)14(10-36)43-23(19)35-25-33-17-13(37)9-31-22(41)18(17)34-25/h11-14,17-21,23,36-37,40H,1-10,26-28H2,(H2,29,42)(H,30,38)(H,31,41)(H,32,39)(H2,33,34,35)/t11-,12-,13-,14?,17-,18+,19?,20?,21?,23?/m1/s1

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InChIKey: SCHKAKNJXBPJHD-QTNOXLOISA-N

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Properties Information

Molecule Weight: 630.704

TPSA: 335.48

MolLogP: -3.2050299999999976

Number of H-Donors: 13

Number of H-Acceptors: 15

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information