(phenylmethyl) (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenylmethoxy-butanoyl]amino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenylmethoxy-butanoyl]amino]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-benzyloxy-butanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylmethoxybutyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylmethoxybutanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-benzoxy-butanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C47H59N5O7 MolecularWeight: 806.00066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(C(C)OCC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)NC(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OCC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=CC=C3)N)OCC4=CC=CC=C4

InChI

InChI=1S/C47H59N5O7/c1-31(2)26-40(47(57)59-30-37-24-16-9-17-25-37)50-46(56)42(33(5)58-29-36-22-14-8-15-23-36)52-44(54)39(28-35-20-12-7-13-21-35)49-45(55)41(32(3)4)51-43(53)38(48)27-34-18-10-6-11-19-34/h6-25,31-33,38-42H,26-30,48H2,1-5H3,(H,49,55)(H,50,56)(H,51,53)(H,52,54)/t33-,38+,39+,40+,41+,42+/m1/s1