(2S)-2-[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]prolyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-methyl-butyric acid Formula: C36H64N12O13 MolecularWeight: 872.96596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NCC(=O)NC(C(C)C)C(=O)O)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)N)O

InChI

InChI=1S/C36H64N12O13/c1-16(2)25(46-29(54)20(37)9-7-11-40-36(38)39)32(57)42-18(5)28(53)44-22(15-50)34(59)48-12-8-10-23(48)31(56)47-27(19(6)51)33(58)43-21(14-49)30(55)41-13-24(52)45-26(17(3)4)35(60)61/h16-23,25-27,49-51H,7-15,37H2,1-6H3,(H,41,55)(H,42,57)(H,43,58)(H,44,53)(H,45,52)(H,46,54)(H,47,56)(H,60,61)(H4,38,39,40)/t18-,19+,20-,21-,22-,23-,25-,26-,27-/m0/s1