(2S)-2-[[(2S)-1-[(2S)-2-[[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-azanylhexanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]methylamino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[(2S)-2-[[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-azanylhexanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]methylamino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-1-[(2S)-2-[[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-aminohexanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]methylamino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[(2S)-1-[(2S)-2-[[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxopentyl]amino]methylamino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-2-[[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-aminohexanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]methylamino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S)-1-[(2S)-2-[[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-aminohexanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]methylamino]-3-(1H-imidazol-5-yl)propanoyl]prolyl]amino]-3-phenyl-propionic acid Formula: C42H59N9O7 MolecularWeight: 801.97396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)CC)C(=O)NCNC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)NC(CC4=CC=CC=C4)C(=O)O)N

Isomeric SMILES

CCCC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCN[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)N

InChI

InChI=1S/C42H59N9O7/c1-4-6-18-31(43)37(52)48-32(21-28-14-9-7-10-15-28)38(53)50-36(27(3)5-2)40(55)47-26-46-33(23-30-24-44-25-45-30)41(56)51-20-13-19-35(51)39(54)49-34(42(57)58)22-29-16-11-8-12-17-29/h7-12,14-17,24-25,27,31-36,46H,4-6,13,18-23,26,43H2,1-3H3,(H,44,45)(H,47,55)(H,48,52)(H,49,54)(H,50,53)(H,57,58)/t27-,31-,32-,33-,34-,35-,36-/m0/s1