(2S)-2-[[(2S,3R)-2-[[(2S)-3-[4-(aminomethyl)phenyl]-2-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S,3R)-2-[[(2S)-3-[4-(aminomethyl)phenyl]-2-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S,3R)-2-[[(2S)-3-[4-(aminomethyl)phenyl]-2-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2S,3R)-2-[[(2S)-3-[4-(aminomethyl)phenyl]-2-[[(2R)-3-(1H-indol-3-yl)-1-oxo-2-[[(2S)-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]-3-phenylpropyl]amino]propyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S,3R)-2-[[(2S)-3-[4-(aminomethyl)phenyl]-2-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S,3R)-2-[[(2S)-3-[4-(aminomethyl)phenyl]-2-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-3-phenyl-2-[[(2S)-prolyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propionic acid Formula: C48H56N8O8 MolecularWeight: 873.00704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)CN)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=CC=C5)NC(=O)C6CCCN6)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)CN)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@@H]6CCCN6)O

InChI

InChI=1S/C48H56N8O8/c1-29(57)42(47(62)55-41(48(63)64)25-31-13-6-3-7-14-31)56-46(61)39(24-32-18-20-33(27-49)21-19-32)53-45(60)40(26-34-28-51-36-16-9-8-15-35(34)36)54-44(59)38(23-30-11-4-2-5-12-30)52-43(58)37-17-10-22-50-37/h2-9,11-16,18-21,28-29,37-42,50-51,57H,10,17,22-27,49H2,1H3,(H,52,58)(H,53,60)(H,54,59)(H,55,62)(H,56,61)(H,63,64)/t29-,37+,38+,39+,40-,41+,42+/m1/s1