2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-benzamido-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-benzamido-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-benzamido-5-oxo-pentanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-benzamido-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-benzamido-5-oxopentanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-benzamido-5-keto-pentanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]acetic acid Formula: C29H44N8O9 MolecularWeight: 648.70786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N8O9/c1-16(24(41)32-15-23(39)40)34-28(45)20(11-7-8-14-30)36-26(43)18(3)33-25(42)17(2)35-29(46)21(12-13-22(31)38)37-27(44)19-9-5-4-6-10-19/h4-6,9-10,16-18,20-21H,7-8,11-15,30H2,1-3H3,(H2,31,38)(H,32,41)(H,33,42)(H,34,45)(H,35,46)(H,36,43)(H,37,44)(H,39,40)/t16-,17-,18-,20-,21-/m0/s1