(2S)-N-[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-[[(2S)-2-[[(2S)-3-(4-fluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanamide

Systemtic Name: (2S)-N-[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-[[(2S)-2-[[(2S)-3-(4-fluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanamide Openeye Name: (2S)-N-[(1S)-1-carbamoyl-4-guanidino-butyl]-2-[[(2S)-2-[[(2S)-3-(4-fluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanamide CAS Name: (2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2S)-3-(4-fluorophenyl)-1-oxo-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanamide IUPAC Name: (2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2S)-3-(4-fluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide Traditional Name: (2S)-N-[(1S)-1-carbamoyl-4-guanidino-butyl]-2-[[(2S)-2-[[(2S)-3-(4-fluorophenyl)-2-[[(E)-3-phenylacryloyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeramide Formula: C39H49FN8O5 MolecularWeight: 728.855363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)F)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=C(C=C2)F)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C39H49FN8O5/c1-25(2)22-31(36(51)46-30(35(41)50)14-9-21-44-39(42)43)47-38(53)33(23-27-12-7-4-8-13-27)48-37(52)32(24-28-15-18-29(40)19-16-28)45-34(49)20-17-26-10-5-3-6-11-26/h3-8,10-13,15-20,25,30-33H,9,14,21-24H2,1-2H3,(H2,41,50)(H,45,49)(H,46,51)(H,47,53)(H,48,52)(H4,42,43,44)/b20-17+/t30-,31-,32-,33-/m0/s1