N-[(2S)-1-[[(3S)-7-azanyl-1-chloranyl-2-oxidanylidene-heptan-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]naphthalene-2-carboxamide

Systemtic Name: N-[(2S)-1-[[(3S)-7-azanyl-1-chloranyl-2-oxidanylidene-heptan-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]naphthalene-2-carboxamide Openeye Name: N-[(1S)-2-[[(1S)-5-amino-1-(2-chloroacetyl)pentyl]amino]-1-benzyl-2-oxo-ethyl]naphthalene-2-carboxamide CAS Name: N-[(2S)-1-[[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-naphthalenecarboxamide IUPAC Name: N-[(2S)-1-[[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]naphthalene-2-carboxamide Traditional Name: N-[(1S)-2-[[(1S)-5-amino-1-(2-chloroacetyl)pentyl]amino]-1-benzyl-2-keto-ethyl]-2-naphthamide Formula: C27H30ClN3O3 MolecularWeight: 479.9984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCCCN)C(=O)CCl)NC(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)CCl)NC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C27H30ClN3O3/c28-18-25(32)23(12-6-7-15-29)30-27(34)24(16-19-8-2-1-3-9-19)31-26(33)22-14-13-20-10-4-5-11-21(20)17-22/h1-5,8-11,13-14,17,23-24H,6-7,12,15-16,18,29H2,(H,30,34)(H,31,33)/t23-,24-/m0/s1