(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[2-(4-hydroxyphenyl)ethanoyl-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanylidene-4-(phenethylamino)butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[2-(4-hydroxyphenyl)ethanoyl-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanylidene-4-(phenethylamino)butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-4-hydroxy-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)acetyl]-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxo-4-(phenethylamino)butanoyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-4-hydroxy-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)-1-oxoethyl]-methylamino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-1,4-dioxo-4-(phenethylamino)butyl]amino]-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-4-hydroxy-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)acetyl]-methylamino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-4-oxo-4-(phenethylamino)butanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-4-hydroxy-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)acetyl]-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-keto-4-(phenethylamino)butanoyl]amino]-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C42H60N6O11 MolecularWeight: 824.9594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)NCCC1=CC=CC=C1)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)CC2=CC=C(C=C2)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC(CC(=O)NCCC1=CC=CC=C1)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)CC2=CC=C(C=C2)O

InChI

InChI=1S/C42H60N6O11/c1-8-26(6)36(47-41(57)37(25(4)5)48(7)34(51)21-28-14-16-29(49)17-15-28)40(56)45-30(22-33(50)43-19-18-27-12-10-9-11-13-27)38(54)44-31(23-35(52)53)39(55)46-32(42(58)59)20-24(2)3/h9-17,24-26,30-32,36-37,49H,8,18-23H2,1-7H3,(H,43,50)(H,44,54)(H,45,56)(H,46,55)(H,47,57)(H,52,53)(H,58,59)/t26-,30?,31-,32-,36-,37-/m0/s1