15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-12-[[2-[(2-hydroxy-3-sulfooxy-propanoyl)amino]-4-methyl-pentanoyl]amino]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosane

Molecular Formula: C45H72N10O16S


InChI: InChI=1/C45H72N10O16S/c1-22(2)18-30(51-40(62)33(57)21-70-72(67,68)69)38(60)53-36-25(7)71-44(66)35(24(5)6)52-39(61)31(20-26-11-13-27(56)14-12-26)54(8)43(65)32(19-23(3)4)55-34(58)16-15-29(42(55)64)50-37(59)28(49-41(36)63)10-9-17-48-45(46)47/h11-14,22-25,28-36,56-58H,9-10,15-21H2,1-8H3,(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,60)(H4,46,47,48)(H,67,68,69)/f/h49-53,67H,46-47H2

InChIKey: InChIKey=VVBXXVAFSPEIJQ-YIANLAGICE
SMILES: CC1C(C(=O)NC(C(=O)NC2CCC(N(C2=O)C(C(=O)N(C(C(=O)NC(C(=O)O1)C(C)C)CC3=CC=C(C=C3)O)C)CC(C)C)O)CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(COS(=O)(=O)O)O

Names:
    15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-12-[[2-[(2-hydroxy-3-sulfooxy-propanoyl)amino]-4-methyl-pentanoyl]amino]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosane

Registries:
    PubChem CID 4470980
    PubChem ID 6591144