2-[[2-[2-[[(2S)-2-acetamido-3-naphthalen-1-yl-propanoyl]amino]butanoylamino]-3-phenyl-propyl]amino]-N-[1-[[(2S)-1-azanyl-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]butanamide

Systemtic Name: 2-[[2-[2-[[(2S)-2-acetamido-3-naphthalen-1-yl-propanoyl]amino]butanoylamino]-3-phenyl-propyl]amino]-N-[1-[[(2S)-1-azanyl-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]butanamide Openeye Name: 2-[[2-[2-[[(2S)-2-acetamido-3-(1-naphthyl)propanoyl]amino]butanoylamino]-3-phenyl-propyl]amino]-N-[1-[[(1S)-2-amino-1-(1-naphthylmethyl)-2-oxo-ethyl]carbamoyl]propyl]butanamide CAS Name: 2-[[2-[[2-[[(2S)-2-acetamido-3-(1-naphthalenyl)-1-oxopropyl]amino]-1-oxobutyl]amino]-3-phenylpropyl]amino]-N-[1-[[(2S)-1-amino-3-(1-naphthalenyl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]butanamide IUPAC Name: 2-[[2-[2-[[(2S)-2-acetamido-3-naphthalen-1-ylpropanoyl]amino]butanoylamino]-3-phenylpropyl]amino]-N-[1-[[(2S)-1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]butanamide Traditional Name: 2-[[2-[2-[[(2S)-2-acetamido-3-(1-naphthyl)propanoyl]amino]butanoylamino]-3-phenyl-propyl]amino]-N-[1-[[(1S)-2-amino-2-keto-1-(1-naphthylmethyl)ethyl]carbamoyl]propyl]butyramide Formula: C49H59N7O6 MolecularWeight: 842.03606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC)C(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)N)NCC(CC3=CC=CC=C3)NC(=O)C(CC)NC(=O)C(CC4=CC=CC5=CC=CC=C54)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC(CC)C(=O)N[C@@H](CC1=CC=CC2=CC=CC=C21)C(=O)N)NCC(CC3=CC=CC=C3)NC(=O)C(CC)NC(=O)[C@H](CC4=CC=CC5=CC=CC=C54)NC(=O)C

InChI

InChI=1S/C49H59N7O6/c1-5-40(46(59)54-42(7-3)48(61)56-43(45(50)58)28-35-23-15-21-33-19-11-13-25-38(33)35)51-30-37(27-32-17-9-8-10-18-32)53-47(60)41(6-2)55-49(62)44(52-31(4)57)29-36-24-16-22-34-20-12-14-26-39(34)36/h8-26,37,40-44,51H,5-7,27-30H2,1-4H3,(H2,50,58)(H,52,57)(H,53,60)(H,54,59)(H,55,62)(H,56,61)/t37?,40?,41?,42?,43-,44-/m0/s1