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

Systemtic Name: (2S)-4-methyl-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-phenylphenyl)carbonylamino]butanoyl]amino]pentanoyl]amino]-4-oxidanylidene-4-(phenethylamino)butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-4-hydroxy-2-[[(2S)-2-[[(2S,3S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-phenylbenzoyl)amino]butanoyl]amino]pentanoyl]amino]-4-oxo-4-(phenethylamino)butanoyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-4-hydroxy-2-[[(2S)-2-[[(2S,3S)-3-methyl-2-[[(2S)-3-methyl-1-oxo-2-[[oxo-(2-phenylphenyl)methyl]amino]butyl]amino]-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-[[(2S)-2-[[(2S,3S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-phenylbenzoyl)amino]butanoyl]amino]pentanoyl]amino]-4-oxo-4-(phenethylamino)butanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-4-hydroxy-4-keto-2-[[(2S)-4-keto-2-[[(2S,3S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-phenylbenzoyl)amino]butanoyl]amino]pentanoyl]amino]-4-(phenethylamino)butanoyl]amino]butanoyl]amino]-4-methyl-valeric acid Formula: C46H60N6O10 MolecularWeight: 857.0028

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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)NC(=O)C2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](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)NC(=O)C2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C46H60N6O10/c1-7-29(6)40(52-44(59)39(28(4)5)51-41(56)33-21-15-14-20-32(33)31-18-12-9-13-19-31)45(60)49-34(25-37(53)47-23-22-30-16-10-8-11-17-30)42(57)48-35(26-38(54)55)43(58)50-36(46(61)62)24-27(2)3/h8-21,27-29,34-36,39-40H,7,22-26H2,1-6H3,(H,47,53)(H,48,57)(H,49,60)(H,50,58)(H,51,56)(H,52,59)(H,54,55)(H,61,62)/t29-,34-,35-,36-,39-,40-/m0/s1