(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-benzamido-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-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-benzamido-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)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-benzamido-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxo-4-(phenethylamino)butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-benzamido-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-1,4-dioxo-4-(phenethylamino)butyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-benzamido-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-4-oxo-4-(phenethylamino)butanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-benzamido-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-keto-4-(phenethylamino)butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C40H56N6O10 MolecularWeight: 780.90684

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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=C2

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=C2

InChI

InChI=1S/C40H56N6O10/c1-7-25(6)34(46-38(53)33(24(4)5)45-35(50)27-16-12-9-13-17-27)39(54)43-28(21-31(47)41-19-18-26-14-10-8-11-15-26)36(51)42-29(22-32(48)49)37(52)44-30(40(55)56)20-23(2)3/h8-17,23-25,28-30,33-34H,7,18-22H2,1-6H3,(H,41,47)(H,42,51)(H,43,54)(H,44,52)(H,45,50)(H,46,53)(H,48,49)(H,55,56)/t25-,28-,29-,30-,33-,34-/m0/s1