(phenylmethyl) N-[5-[[5-[(2-azanyl-4,5-dihydro-1H-imidazol-5-yl)-oxidanyl-methyl]-8-[[2-azanyl-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4,5-dihydroimidazol-4-yl]-oxidanyl-methyl]-11-(hydroxymethyl)-3,6,9,12,15,18-hexakis(oxidanylidene)-17-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]-2-oxidanyl-phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[5-[[5-[(2-azanyl-4,5-dihydro-1H-imidazol-5-yl)-oxidanyl-methyl]-8-[[2-azanyl-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4,5-dihydroimidazol-4-yl]-oxidanyl-methyl]-11-(hydroxymethyl)-3,6,9,12,15,18-hexakis(oxidanylidene)-17-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]-2-oxidanyl-phenyl]carbamate Openeye Name: benzyl N-[5-[[5-[(2-amino-4,5-dihydro-1H-imidazol-5-yl)-hydroxy-methyl]-8-[[2-amino-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4,5-dihydroimidazol-4-yl]-hydroxy-methyl]-11-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-17-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]-2-hydroxy-phenyl]carbamate CAS Name: N-[5-[[5-[(2-amino-4,5-dihydro-1H-imidazol-5-yl)-hydroxymethyl]-8-[[2-amino-3-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-4,5-dihydroimidazol-4-yl]-hydroxymethyl]-11-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-17-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]-2-hydroxyphenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-[[5-[(2-amino-4,5-dihydro-1H-imidazol-5-yl)-hydroxymethyl]-8-[[2-amino-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4,5-dihydroimidazol-4-yl]-hydroxymethyl]-11-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-17-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]-2-hydroxyphenyl]carbamate Traditional Name: N-[5-[[5-[(2-amino-2-imidazolin-4-yl)-hydroxy-methyl]-8-[[2-amino-3-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)-2-imidazolin-4-yl]-hydroxy-methyl]-3,6,9,12,15,18-hexaketo-11-methylol-17-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]-2-hydroxy-phenyl]carbamic acid benzyl ester Formula: C50H65N13O17 MolecularWeight: 1120.128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CO)C(C2CN=C(N2C3C(C(C(C(O3)CO)O)O)O)N)O)C(C4CN=C(N4)N)O)CC5=CC(=C(C=C5)O)NC(=O)OCC6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CO)C(C2CN=C(N2C3C(C(C(C(O3)CO)O)O)O)N)O)C(C4CN=C(N4)N)O)CC5=CC(=C(C=C5)O)NC(=O)OCC6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C50H65N13O17/c1-22(25-10-6-3-7-11-25)34-44(75)56-27(15-24-12-13-31(66)26(14-24)59-50(78)79-21-23-8-4-2-5-9-23)43(74)61-35(37(68)28-16-54-48(51)58-28)46(77)62-36(45(76)57-29(19-64)42(73)53-18-33(67)60-34)38(69)30-17-55-49(52)63(30)47-41(72)40(71)39(70)32(20-65)80-47/h2-14,22,27-30,32,34-41,47,64-66,68-72H,15-21H2,1H3,(H2,52,55)(H,53,73)(H,56,75)(H,57,76)(H,59,78)(H,60,67)(H,61,74)(H,62,77)(H3,51,54,58)