2-[2-[2-[[(2S)-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]-4-methylsulfinyl-butanoyl]amino]-2-methyl-3-oxidanyl-5-phenyl-pentanoyl]amino]-4-methylsulfinyl-butanoyl]amino]ethyl]-1,3-thiazol-4-yl]-N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[2-[2-[[(2S)-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]-4-methylsulfinyl-butanoyl]amino]-2-methyl-3-oxidanyl-5-phenyl-pentanoyl]amino]-4-methylsulfinyl-butanoyl]amino]ethyl]-1,3-thiazol-4-yl]-N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[2-[2-[[(2S)-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]-4-methylsulfinyl-butanoyl]amino]-3-hydroxy-2-methyl-5-phenyl-pentanoyl]amino]-4-methylsulfinyl-butanoyl]amino]ethyl]thiazol-4-yl]-N-[3-[4-(3-aminopropylamino)butylamino]propyl]thiazole-4-carboxamide CAS Name: 2-[2-[2-[[(2S)-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]-4-methylsulfinyl-1-oxobutyl]amino]-3-hydroxy-2-methyl-1-oxo-5-phenylpentyl]amino]-4-methylsulfinyl-1-oxobutyl]amino]ethyl]-4-thiazolyl]-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-thiazolecarboxamide IUPAC Name: 2-[2-[2-[[(2S)-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]-4-methylsulfinylbutanoyl]amino]-3-hydroxy-2-methyl-5-phenylpentanoyl]amino]-4-methylsulfinylbutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[2-[2-[[(2S)-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]-4-methylsulfinyl-butanoyl]amino]-3-hydroxy-2-methyl-5-phenyl-pentanoyl]amino]-4-methylsulfinyl-butanoyl]amino]ethyl]thiazol-4-yl]-N-[3-[4-(3-aminopropylamino)butylamino]propyl]thiazole-4-carboxamide Formula: C53H83N17O10S4 MolecularWeight: 1246.59402

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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(CCS(=O)C)C(=O)NC(CC2=CC=CC=C2)C(C(C)C(=O)NC(CCS(=O)C)C(=O)NCCC3=NC(=CS3)C4=NC(=CS4)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](CCS(=O)C)C(=O)N[C@H](CC2=CC=CC=C2)[C@H]([C@H](C)C(=O)N[C@@H](CCS(=O)C)C(=O)NCCC3=NC(=CS3)C4=NC(=CS4)C(=O)NCCCNCCCCNCCCN)O

InChI

InChI=1S/C53H83N17O10S4/c1-31-43(69-47(70-45(31)57)38(27-41(56)71)63-28-34(55)46(58)73)52(78)66-36(16-25-84(4)80)51(77)67-37(26-33-12-6-5-7-13-33)44(72)32(2)48(74)65-35(15-24-83(3)79)49(75)62-23-14-42-64-40(30-81-42)53-68-39(29-82-53)50(76)61-22-11-21-60-19-9-8-18-59-20-10-17-54/h5-7,12-13,29-30,32,34-38,44,59-60,63,72H,8-11,14-28,54-55H2,1-4H3,(H2,56,71)(H2,58,73)(H,61,76)(H,62,75)(H,65,74)(H,66,78)(H,67,77)(H2,57,69,70)/t32-,34-,35-,36-,37+,38-,44-,83?,84?/m0/s1