(2R)-N-[(3S,6S,12S,15S,18R,21S,24S,27S,28R)-6-[(1S)-2-azanyl-1-oxidanyl-2-oxidanylidene-ethyl]-18-[3-[bis(azanyl)methylideneamino]propyl]-15-[(2S)-butan-2-yl]-3-(hydroxymethyl)-24-[(1R)-2-methyl-1-oxidanyl-propyl]-21-(2-methylpropyl)-12-[(1S)-1-oxidanylethyl]-2,5,8,11,14,17,20,23,26-nonakis(oxidanylidene)-28-phenyl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-27-yl]-2-[[(2S)-2-azanyl-3-trimethylsilyl-propyl]amino]-3-trimethylsilyl-propanamide

Systemtic Name: (2R)-N-[(3S,6S,12S,15S,18R,21S,24S,27S,28R)-6-[(1S)-2-azanyl-1-oxidanyl-2-oxidanylidene-ethyl]-18-[3-[bis(azanyl)methylideneamino]propyl]-15-[(2S)-butan-2-yl]-3-(hydroxymethyl)-24-[(1R)-2-methyl-1-oxidanyl-propyl]-21-(2-methylpropyl)-12-[(1S)-1-oxidanylethyl]-2,5,8,11,14,17,20,23,26-nonakis(oxidanylidene)-28-phenyl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-27-yl]-2-[[(2S)-2-azanyl-3-trimethylsilyl-propyl]amino]-3-trimethylsilyl-propanamide Openeye Name: (2R)-N-[(3S,6S,12S,15S,18R,21S,24S,27S,28R)-6-[(1S)-2-amino-1-hydroxy-2-oxo-ethyl]-18-(3-guanidinopropyl)-12-[(1S)-1-hydroxyethyl]-3-(hydroxymethyl)-24-[(1R)-1-hydroxy-2-methyl-propyl]-21-isobutyl-15-[(1S)-1-methylpropyl]-2,5,8,11,14,17,20,23,26-nonaoxo-28-phenyl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-27-yl]-2-[[(2S)-2-amino-3-trimethylsilyl-propyl]amino]-3-trimethylsilyl-propanamide CAS Name: (2R)-N-[(3S,6S,12S,15S,18R,21S,24S,27S,28R)-6-[(1S)-2-amino-1-hydroxy-2-oxoethyl]-15-[(2S)-butan-2-yl]-18-[3-(diaminomethylideneamino)propyl]-12-[(1S)-1-hydroxyethyl]-3-(hydroxymethyl)-24-[(1R)-1-hydroxy-2-methylpropyl]-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-28-phenyl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-27-yl]-2-[[(2S)-2-amino-3-trimethylsilylpropyl]amino]-3-trimethylsilylpropanamide IUPAC Name: (2R)-N-[(3S,6S,12S,15S,18R,21S,24S,27S,28R)-6-[(1S)-2-amino-1-hydroxy-2-oxoethyl]-15-[(2S)-butan-2-yl]-18-[3-(diaminomethylideneamino)propyl]-12-[(1S)-1-hydroxyethyl]-3-(hydroxymethyl)-24-[(1R)-1-hydroxy-2-methylpropyl]-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-28-phenyl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-27-yl]-2-[[(2S)-2-amino-3-trimethylsilylpropyl]amino]-3-trimethylsilylpropanamide Traditional Name: (2R)-N-[(3S,6S,12S,15S,18R,21S,24S,27S,28R)-6-[(1S)-2-amino-1-hydroxy-2-keto-ethyl]-18-(3-guanidinopropyl)-12-[(1S)-1-hydroxyethyl]-24-[(1R)-1-hydroxy-2-methyl-propyl]-21-isobutyl-2,5,8,11,14,17,20,23,26-nonaketo-3-methylol-15-[(1S)-1-methylpropyl]-28-phenyl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-27-yl]-2-[[(2S)-2-amino-3-trimethylsilyl-propyl]amino]-3-trimethylsilyl-propionamide Formula: C58H103N15O16Si2 MolecularWeight: 1322.70032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)OC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CC(C)C)C(C(C)C)O)NC(=O)C(C[Si](C)(C)C)NCC(C[Si](C)(C)C)N)C2=CC=CC=C2)CO)C(C(=O)N)O)C(C)O

Isomeric SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CCCN=C(N)N)CC(C)C)[C@@H](C(C)C)O)NC(=O)[C@H](C[Si](C)(C)C)NC[C@@H](C[Si](C)(C)C)N)C2=CC=CC=C2)CO)[C@@H](C(=O)N)O)[C@H](C)O

InChI

InChI=1S/C58H103N15O16Si2/c1-14-31(6)40-53(84)71-41(32(7)75)52(83)65-25-39(76)69-43(46(78)48(60)79)55(86)68-37(26-74)57(88)89-47(33-19-16-15-17-20-33)44(73-51(82)38(28-91(11,12)13)64-24-34(59)27-90(8,9)10)56(87)72-42(45(77)30(4)5)54(85)67-36(23-29(2)3)50(81)66-35(49(80)70-40)21-18-22-63-58(61)62/h15-17,19-20,29-32,34-38,40-47,64,74-75,77-78H,14,18,21-28,59H2,1-13H3,(H2,60,79)(H,65,83)(H,66,81)(H,67,85)(H,68,86)(H,69,76)(H,70,80)(H,71,84)(H,72,87)(H,73,82)(H4,61,62,63)/t31-,32-,34-,35+,36-,37-,38-,40-,41-,42-,43-,44-,45+,46-,47+/m0/s1