(2S,3R)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: (2S,3R)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: (2S,3R)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoic acid CAS Name: (2S,3R)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxybutanoic acid IUPAC Name: (2S,3R)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoic acid Traditional Name: (2S,3R)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butyric acid Formula: C50H86N14O15 MolecularWeight: 1123.30264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C50H86N14O15/c1-8-26(4)37(46(75)64-40(29(7)68)49(78)79)61-48(77)39(28(6)67)63-43(72)33(21-25(2)3)59-47(76)38(27(5)66)62-44(73)34(22-30-15-10-9-11-16-30)58-45(74)35(24-65)60-42(71)32(18-12-13-19-51)57-36(69)23-56-41(70)31(52)17-14-20-55-50(53)54/h9-11,15-16,25-29,31-35,37-40,65-68H,8,12-14,17-24,51-52H2,1-7H3,(H,56,70)(H,57,69)(H,58,74)(H,59,76)(H,60,71)(H,61,77)(H,62,73)(H,63,72)(H,64,75)(H,78,79)(H4,53,54,55)/t26-,27+,28+,29+,31-,32-,33-,34-,35-,37-,38-,39-,40-/m0/s1