(2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-N-[(2S)-6-azanyl-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]-methyl-amino]-1-oxidanylidene-hexan-2-yl]pentanediamide

Systemtic Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-N-[(2S)-6-azanyl-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]-methyl-amino]-1-oxidanylidene-hexan-2-yl]pentanediamide Openeye Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-N-[(1S)-5-amino-1-[[(1S)-1-carbamoyl-3-methyl-butyl]-methyl-carbamoyl]pentyl]pentanediamide CAS Name: (2S)-2-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-N-[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-methylamino]-1-oxohexan-2-yl]pentanediamide IUPAC Name: (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-N-[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-methylamino]-1-oxohexan-2-yl]pentanediamide Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-N-[(1S)-5-amino-1-[[(1S)-1-carbamoyl-3-methyl-butyl]-methyl-carbamoyl]pentyl]glutaramide Formula: C29H47N7O6 MolecularWeight: 589.72678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)N(C)C(=O)C(CCCCN)NC(=O)C(CCC(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C29H47N7O6/c1-18(2)16-24(26(32)39)36(4)29(42)22(12-8-9-15-30)35-27(40)21(13-14-25(31)38)34-28(41)23(33-19(3)37)17-20-10-6-5-7-11-20/h5-7,10-11,18,21-24H,8-9,12-17,30H2,1-4H3,(H2,31,38)(H2,32,39)(H,33,37)(H,34,41)(H,35,40)/t21-,22-,23-,24-/m0/s1