(2S)-2-azanyl-N-[(2S)-1-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]butanediamide

Systemtic Name: (2S)-2-azanyl-N-[(2S)-1-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]butanediamide Openeye Name: (2S)-2-amino-N-[(1S)-1-[[(1S)-2-[(2-amino-2-oxo-ethyl)amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]butanediamide CAS Name: (2S)-2-amino-N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]butanediamide IUPAC Name: (2S)-2-amino-N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]butanediamide Traditional Name: (2S)-2-amino-N-[(1S)-1-[[(1S)-2-[(2-amino-2-keto-ethyl)amino]-1-benzyl-2-keto-ethyl]carbamoyl]-3-methyl-butyl]succinamide Formula: C21H32N6O5 MolecularWeight: 448.51598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)N)NC(=O)C(CC(=O)N)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C21H32N6O5/c1-12(2)8-15(26-19(30)14(22)10-17(23)28)21(32)27-16(20(31)25-11-18(24)29)9-13-6-4-3-5-7-13/h3-7,12,14-16H,8-11,22H2,1-2H3,(H2,23,28)(H2,24,29)(H,25,31)(H,26,30)(H,27,32)/t14-,15-,16-/m0/s1