[(1R)-1-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-[bis(azanyl)methylideneamino]butyl]boronic acid

Systemtic Name: [(1R)-1-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-[bis(azanyl)methylideneamino]butyl]boronic acid Openeye Name: [(1R)-1-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-(benzyloxycarbonylamino)hexanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-4-guanidino-butyl]boronic acid CAS Name: [(1R)-1-[[(2S)-2-[[(2S)-6-amino-1-oxo-2-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)hexyl]amino]hexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-(diaminomethylideneamino)butyl]boronic acid IUPAC Name: [(1R)-1-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-(diaminomethylideneamino)butyl]boronic acid Traditional Name: [(1R)-1-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-(benzyloxycarbonylamino)hexanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-4-guanidino-butyl]boronic acid Formula: C31H56BN11O7 MolecularWeight: 705.65684

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCC)NC(=O)OCC1=CC=CC=C1)(O)O

Isomeric SMILES

B([C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)OCC1=CC=CC=C1)(O)O

InChI

InChI=1S/C31H56BN11O7/c1-2-3-13-24(42-31(47)50-20-21-11-5-4-6-12-21)27(45)40-22(14-7-8-17-33)26(44)41-23(15-9-18-38-29(34)35)28(46)43-25(32(48)49)16-10-19-39-30(36)37/h4-6,11-12,22-25,48-49H,2-3,7-10,13-20,33H2,1H3,(H,40,45)(H,41,44)(H,42,47)(H,43,46)(H4,34,35,38)(H4,36,37,39)/t22-,23-,24-,25-/m0/s1