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Substance Name: D-Phenylalanine, N-((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-
RN: 148676-99-7
InChIKey: MDWSPQAWQWMMGT-RLXHSKBDSA-N

Molecular Formula

  • C46-H48-N2-O18

Molecular Weight

  • 916.8812
 
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Names and Synonyms

  • D-Phenylalanine, N-((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 148676-99-7

System Generated Number

  • 0148676997

Structure Descriptors

InChI

1S/C46H48N2O18/c1-16-10-23-30(37(55)27(16)43(59)48-24(44(60)61)11-18-8-6-5-7-9-18)29-21(14-22-31(38(29)56)34(52)20-12-19(62-4)13-25(49)28(20)33(22)51)35(53)41(23)65-46-40(58)42(32(47-3)17(2)64-46)66-45-39(57)36(54)26(50)15-63-45/h5-10,12-14,17,24,26,32,35-36,39-42,45-47,49-50,53-58H,11,15H2,1-4H3,(H,48,59)(H,60,61)/t17-,24-,26-,32+,35+,36+,39-,40-,41+,42+,45+,46+/m1/s1

InChIKey

MDWSPQAWQWMMGT-RLXHSKBDSA-N

Smiles

Cc1cc2c(c(c1C(=O)N[C@H](Cc3ccccc3)C(=O)O)O)-c4c(cc5c(c4O)C(=O)c6cc(cc(c6C5=O)O)OC)[C@@H]([C@H]2O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)NC)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O