(2S)-5-[(2S)-6-azanyl-2-[[(2S)-2-[[(2R)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]-2-ethyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-5-[(2S)-6-azanyl-2-[[(2S)-2-[[(2R)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]-2-ethyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-5-[(2S)-6-amino-2-[[(2S)-2-[[(2R)-3-tert-butoxy-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]-2-ethyl-pyrrolidine-2-carboxylic acid CAS Name: (2S)-5-[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-1-oxo-2-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]propyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]-2-ethyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-5-[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]-2-ethylpyrrolidine-2-carboxylic acid Traditional Name: (2S)-5-[(2S)-6-amino-2-[[(2S)-2-[[(2R)-3-tert-butoxy-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-ketoprolyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]-2-ethyl-proline Formula: C62H82N16O13 MolecularWeight: 1259.41388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(N1)C(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(COC(C)(C)C)NC(=O)C(CC4=CN=CN4)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8)C(=O)O

Isomeric SMILES

CC[C@]1(CCC(N1)C(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8)C(=O)O

InChI

InChI=1S/C62H82N16O13/c1-5-62(60(89)90)20-19-43(78-62)52(81)42(16-10-11-21-63)71-54(83)45(22-34-26-66-40-14-8-6-12-38(34)40)73-59(88)50(31-91-61(2,3)4)77-57(86)48(25-37-29-65-33-69-37)75-58(87)49(30-79)76-55(84)46(23-35-27-67-41-15-9-7-13-39(35)41)72-56(85)47(24-36-28-64-32-68-36)74-53(82)44-17-18-51(80)70-44/h6-9,12-15,26-29,32-33,42-50,66-67,78-79H,5,10-11,16-25,30-31,63H2,1-4H3,(H,64,68)(H,65,69)(H,70,80)(H,71,83)(H,72,85)(H,73,88)(H,74,82)(H,75,87)(H,76,84)(H,77,86)(H,89,90)/t42-,43?,44-,45-,46-,47-,48-,49-,50+,62-/m0/s1