(2S)-2-[[(2S)-6-azanyl-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-6-azanyl-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-hydroxy-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]prolyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]-5-guanidino-valeric acid Formula: C35H64N14O12 MolecularWeight: 872.96926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC(=O)O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)O)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N)O

InChI

InChI=1S/C35H64N14O12/c1-17(50)25(37)30(57)47-22(16-24(52)53)32(59)49-15-7-11-23(49)29(56)44-20(9-5-13-42-34(38)39)28(55)48-26(18(2)51)31(58)45-19(8-3-4-12-36)27(54)46-21(33(60)61)10-6-14-43-35(40)41/h17-23,25-26,50-51H,3-16,36-37H2,1-2H3,(H,44,56)(H,45,58)(H,46,54)(H,47,57)(H,48,55)(H,52,53)(H,60,61)(H4,38,39,42)(H4,40,41,43)/t17-,18-,19+,20+,21+,22+,23+,25+,26+/m1/s1