methyl (2S)-2-[[(2S)-2-[[(2S)-2-[4-[2-[4-[[(2S)-1-[[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butoxy]quinolin-7-yl]oxybutanoylamino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[4-[2-[4-[[(2S)-1-[[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butoxy]quinolin-7-yl]oxybutanoylamino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[4-[[2-[4-[[(1S)-1-[[(1S)-1-[[(1S)-1-methoxycarbonyl-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]amino]-4-oxo-butoxy]-7-quinolyl]oxy]butanoylamino]-3-methyl-pentanoyl]amino]butanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[4-[[2-[4-[[(2S)-1-[[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutoxy]-7-quinolinyl]oxy]-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxobutyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[4-[2-[4-[[(2S)-1-[[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutoxy]quinolin-7-yl]oxybutanoylamino]-3-methylpentanoyl]amino]butanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[4-[[2-[4-[[(1S)-1-[[(1S)-1-[[(1S)-1-carbomethoxy-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]amino]-4-keto-butoxy]-7-quinolyl]oxy]butanoylamino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C51H81N7O13 MolecularWeight: 1000.22794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)OC)NC(=O)CCCOC1=CC2=C(C=C1)C=CC(=N2)OCCCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)OC)NC(=O)CCCOC1=CC2=C(C=C1)C=CC(=N2)OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC

InChI

InChI=1S/C51H81N7O13/c1-14-32(10)44(48(64)58-45(33(11)59)49(65)54-38(26-29(4)5)50(66)68-12)56-40(61)17-15-23-70-35-21-19-34-20-22-41(52-36(34)27-35)71-24-16-18-39(60)55-42(30(6)7)47(63)53-37(25-28(2)3)46(62)57-43(31(8)9)51(67)69-13/h19-22,27-33,37-38,42-45,59H,14-18,23-26H2,1-13H3,(H,53,63)(H,54,65)(H,55,60)(H,56,61)(H,57,62)(H,58,64)/t32?,33?,37-,38-,42-,43-,44-,45-/m0/s1