(3S)-3-[[(2S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S,3S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-[[(2S,3R)-1-(carboxymethylamino)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic

Systemtic Name: (3S)-3-[[(2S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S,3S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-[[(2S,3R)-1-(carboxymethylamino)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic Openeye Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-[[(1S,2R)-1-(carboxymethylcarbamoyl)-2-hydroxy-propyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[[(2S)-1-[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-[[(2S,3R)-1-(carboxymethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutan IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-[[(2S,3R)-1-(carboxymethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]prolyl]amino]acetyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-[[(1S,2R)-1-(carboxymethylcarbamoyl)-2-hydroxy-propyl]amino]-4-keto-butyric acid Formula: C64H113N17O22 MolecularWeight: 1472.68272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)NCC(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)NCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CO)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)N

InChI

InChI=1S/C64H113N17O22/c1-12-33(8)49(64(103)81-23-17-20-43(81)59(98)68-26-44(86)70-34(9)52(91)76-47(31(4)5)62(101)74-41(25-45(87)88)57(96)79-50(35(10)84)60(99)69-27-46(89)90)78-54(93)39(19-14-16-22-66)72-61(100)48(32(6)7)77-58(97)42(29-83)75-56(95)40(24-30(2)3)73-63(102)51(36(11)85)80-55(94)38(18-13-15-21-65)71-53(92)37(67)28-82/h30-43,47-51,82-85H,12-29,65-67H2,1-11H3,(H,68,98)(H,69,99)(H,70,86)(H,71,92)(H,72,100)(H,73,102)(H,74,101)(H,75,95)(H,76,91)(H,77,97)(H,78,93)(H,79,96)(H,80,94)(H,87,88)(H,89,90)/t33-,34-,35+,36+,37-,38-,39-,40-,41-,42-,43-,47-,48-,49-,50-,51-/m0/s1