6-[[(2S)-2-(1-benzofuran-2-ylcarbonylamino)-5-(phenylmethoxycarbonylamino)pentanoyl]amino]naphthalene-2-carboxylic acid

Systemtic Name: 6-[[(2S)-2-(1-benzofuran-2-ylcarbonylamino)-5-(phenylmethoxycarbonylamino)pentanoyl]amino]naphthalene-2-carboxylic acid Openeye Name: 6-[[(2S)-2-(benzofuran-2-carbonylamino)-5-(benzyloxycarbonylamino)pentanoyl]amino]naphthalene-2-carboxylic acid CAS Name: 6-[[(2S)-2-[[2-benzofuranyl(oxo)methyl]amino]-1-oxo-5-(phenylmethoxycarbonylamino)pentyl]amino]-2-naphthalenecarboxylic acid IUPAC Name: 6-[[(2S)-2-(1-benzofuran-2-carbonylamino)-5-(phenylmethoxycarbonylamino)pentanoyl]amino]naphthalene-2-carboxylic acid Traditional Name: 6-[[(2S)-2-(benzofuran-2-carbonylamino)-5-(benzyloxycarbonylamino)pentanoyl]amino]-2-naphthoic acid Formula: C33H29N3O7 MolecularWeight: 579.59926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCC(C(=O)NC2=CC3=C(C=C2)C=C(C=C3)C(=O)O)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCC[C@@H](C(=O)NC2=CC3=C(C=C2)C=C(C=C3)C(=O)O)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C33H29N3O7/c37-30(35-26-15-14-22-17-25(32(39)40)13-12-23(22)18-26)27(36-31(38)29-19-24-9-4-5-11-28(24)43-29)10-6-16-34-33(41)42-20-21-7-2-1-3-8-21/h1-5,7-9,11-15,17-19,27H,6,10,16,20H2,(H,34,41)(H,35,37)(H,36,38)(H,39,40)/t27-/m0/s1