NOURSEOTHRICIN

CAS No.
56089-12-4 ;96736-11-7
CCD No.
CCD00561400
Formula
C31 H58 N12 O10 . C19 H34 N8 O8
MolWeight
1261.4

Basic Information

Product Name: NOURSEOTHRICIN
CAS: 56089-12-4 ;96736-11-7
English Synonyms: NOURSEOTHRICIN
MDL Number.: MFCD06795125
H bond acceptor: 22
H bond donor: 14
Smile: C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCN)N)O.C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCN)N)N)N)O
InChi: InChI=1S/C31H58N12O10.C19H34N8O8/c32-7-1-4-15(33)10-20(46)37-8-2-5-16(34)11-21(47)38-9-3-6-17(35)12-22(48)40-25-26(49)27(53-30(36)51)19(14-44)52-29(25)43-31-41-23-18(45)13-39-28(50)24(23)42-31;20-3-1-2-7(21)4-10(30)24-13-14(31)15(35-18(22)33)9(6-28)34-17(13)27-19-25-11-8(29)5-23-16(32)12(11)26-19/h15-19,23-27,29,44-45,49H,1-14,32-35H2,(H2,36,51)(H,37,46)(H,38,47)(H,39,50)(H,40,48)(H2,41,42,43);7-9,11-15,17,28-29,31H,1-6,20-21H2,(H2,22,33)(H,23,32)(H,24,30)(H2,25,26,27)/t15-,16-,17-,18+,19+,23+,24-,25+,26-,27-,29+;7-,8+,9+,11+,12-,13+,14-,15-,17+/m00/s1
InChiKey: InChIKey=XQDPMHURXDHENH-KYZHGJFQSA-N

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