(2S)-2-[[(2S)-2-[[4-[di(propan-2-yl)amino]-2-[[(2S,3S)-3-methyl-2-[[(2S)-3-methyl-2-[methyl(3-phenylpropanoyl)amino]butanoyl]amino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[4-[di(propan-2-yl)amino]-2-[[(2S,3S)-3-methyl-2-[[(2S)-3-methyl-2-[methyl(3-phenylpropanoyl)amino]butanoyl]amino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[4-(diisopropylamino)-2-[[(2S,3S)-3-methyl-2-[[(2S)-3-methyl-2-[methyl(3-phenylpropanoyl)amino]butanoyl]amino]pentanoyl]amino]-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[4-[di(propan-2-yl)amino]-2-[[(2S,3S)-3-methyl-2-[[(2S)-3-methyl-2-[methyl-(1-oxo-3-phenylpropyl)amino]-1-oxobutyl]amino]-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[4-[di(propan-2-yl)amino]-2-[[(2S,3S)-3-methyl-2-[[(2S)-3-methyl-2-[methyl(3-phenylpropanoyl)amino]butanoyl]amino]pentanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[4-(diisopropylamino)-2-[[(2S,3S)-2-[[(2S)-2-[hydrocinnamoyl(methyl)amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C41H66N6O10 MolecularWeight: 802.99694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)N(C(C)C)C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(C(C)C)N(C)C(=O)CCC1=CC=CC=C1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC(CC(=O)N(C(C)C)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](C(C)C)N(C)C(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C41H66N6O10/c1-12-27(10)35(45-40(55)36(24(4)5)46(11)32(48)19-18-28-16-14-13-15-17-28)39(54)43-29(21-33(49)47(25(6)7)26(8)9)37(52)42-30(22-34(50)51)38(53)44-31(41(56)57)20-23(2)3/h13-17,23-27,29-31,35-36H,12,18-22H2,1-11H3,(H,42,52)(H,43,54)(H,44,53)(H,45,55)(H,50,51)(H,56,57)/t27-,29?,30-,31-,35-,36-/m0/s1