2-[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S)-2-[[6-azanyl-2-[(1S)-3-azanyl-1-[[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]amino]-3-oxidanylidene-propyl]-5-methyl-pyrimidin-4-yl]carbonylamino]-3-thiophen-2-yl-propanoyl]amino]-2-methyl-3-oxidanyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S)-2-[[6-azanyl-2-[(1S)-3-azanyl-1-[[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]amino]-3-oxidanylidene-propyl]-5-methyl-pyrimidin-4-yl]carbonylamino]-3-thiophen-2-yl-propanoyl]amino]-2-methyl-3-oxidanyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-(2-thienyl)propanoyl]amino]-3-hydroxy-2-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]ethyl]thiazol-4-yl]thiazol-4-yl]-N-[3-[4-(3-aminopropylamino)butylamino]propyl]thiazole-4-carboxamide CAS Name: 2-[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S)-2-[[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methyl-4-pyrimidinyl]-oxomethyl]amino]-1-oxo-3-thiophen-2-ylpropyl]amino]-3-hydroxy-2-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]ethyl]-4-thiazolyl]-4-thiazolyl]-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-thiazolecarboxamide IUPAC Name: 2-[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-keto-propyl]amino]-3-keto-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-(2-thienyl)propanoyl]amino]-3-hydroxy-2-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]ethyl]thiazol-4-yl]thiazol-4-yl]-N-[3-[4-(3-aminopropylamino)butylamino]propyl]thiazole-4-carboxamide Formula: C51H76N18O9S4 MolecularWeight: 1213.52434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(CC2=CC=CS2)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC3=NC(=CS3)C4=NC(=CS4)C5=NC(=CS5)C(=O)NCCCNCCCCNCCCN)O

Isomeric SMILES

CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H](CC2=CC=CS2)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC3=NC(=CS3)C4=NC(=CS4)C5=NC(=CS5)C(=O)NCCCNCCCCNCCCN)O

InChI

InChI=1S/C51H76N18O9S4/c1-26-39(67-44(69-42(26)55)32(21-37(54)71)61-22-31(53)43(56)73)49(78)64-33(20-30-10-7-19-79-30)47(76)62-28(3)41(72)27(2)45(74)68-40(29(4)70)48(77)60-18-11-38-63-35(24-80-38)50-66-36(25-82-50)51-65-34(23-81-51)46(75)59-17-9-16-58-14-6-5-13-57-15-8-12-52/h7,10,19,23-25,27-29,31-33,40-41,57-58,61,70,72H,5-6,8-9,11-18,20-22,52-53H2,1-4H3,(H2,54,71)(H2,56,73)(H,59,75)(H,60,77)(H,62,76)(H,64,78)(H,68,74)(H2,55,67,69)/t27-,28+,29+,31-,32-,33-,40-,41-/m0/s1