(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-6-(methylamino)hexanoyl]amino]-N-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]pentanediamide

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-6-(methylamino)hexanoyl]amino]-N-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]pentanediamide Openeye Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-6-(methylamino)hexanoyl]amino]-N-[(1S,2R)-1-formyl-2-hydroxy-propyl]pentanediamide CAS Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-6-(methylamino)-1-oxohexyl]amino]-N-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]pentanediamide IUPAC Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-6-(methylamino)hexanoyl]amino]-N-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]pentanediamide Traditional Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-6-(methylamino)hexanoyl]amino]-N-[(1S,2R)-1-formyl-2-hydroxy-propyl]glutaramide Formula: C29H55N11O9 MolecularWeight: 701.8153

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C=O)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCNC)NC(=O)C(C(C)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)N)O

Isomeric SMILES

C[C@H]([C@@H](C=O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCNC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C29H55N11O9/c1-15(30)24(45)36-19(9-7-13-35-29(32)33)27(48)40-23(17(3)43)28(49)38-18(8-5-6-12-34-4)25(46)37-20(10-11-22(31)44)26(47)39-21(14-41)16(2)42/h14-21,23,34,42-43H,5-13,30H2,1-4H3,(H2,31,44)(H,36,45)(H,37,46)(H,38,49)(H,39,47)(H,40,48)(H4,32,33,35)/t15-,16+,17+,18-,19-,20-,21+,23-/m0/s1