(2S)-2-[[(2S)-2-[[(2S,3S)-3-[[(2S,4S)-4-acetamido-5-[[(1R)-1-(dihydroxyboranyl)-2-phenyl-ethyl]amino]-5-oxidanylidene-pentan-2-yl]carbamoyl]-5-methyl-2-oxidanyl-hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S,3S)-3-[[(2S,4S)-4-acetamido-5-[[(1R)-1-(dihydroxyboranyl)-2-phenyl-ethyl]amino]-5-oxidanylidene-pentan-2-yl]carbamoyl]-5-methyl-2-oxidanyl-hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S,3S)-3-[[(1S,3S)-3-acetamido-4-[[(1R)-1-borono-2-phenyl-ethyl]amino]-1-methyl-4-oxo-butyl]carbamoyl]-2-hydroxy-5-methyl-hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S,3S)-3-[[[(2S,4S)-4-acetamido-5-[[(1R)-1-borono-2-phenylethyl]amino]-5-oxopentan-2-yl]amino]-oxomethyl]-2-hydroxy-5-methyl-1-oxohexyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S,3S)-3-[[(2S,4S)-4-acetamido-5-[[(1R)-1-borono-2-phenylethyl]amino]-5-oxopentan-2-yl]carbamoyl]-2-hydroxy-5-methylhexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S,3S)-3-[[(1S,3S)-3-acetamido-4-[[(1R)-1-borono-2-phenyl-ethyl]amino]-4-keto-1-methyl-butyl]carbamoyl]-2-hydroxy-5-methyl-hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-valeric acid Formula: C35H59BN8O10 MolecularWeight: 762.70156

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC1=CC=CC=C1)NC(=O)C(CC(C)NC(=O)C(CC(C)C)C(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)O)O)NC(=O)C)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C35H59BN8O10/c1-19(2)15-24(29(46)33(50)43-26(16-20(3)4)31(48)42-25(34(51)52)13-10-14-39-35(37)38)30(47)40-21(5)17-27(41-22(6)45)32(49)44-28(36(53)54)18-23-11-8-7-9-12-23/h7-9,11-12,19-21,24-29,46,53-54H,10,13-18H2,1-6H3,(H,40,47)(H,41,45)(H,42,48)(H,43,50)(H,44,49)(H,51,52)(H4,37,38,39)/t21-,24-,25-,26-,27-,28-,29-/m0/s1