(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-valeric acid Formula: C41H77N11O9 MolecularWeight: 868.11838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C41H77N11O9/c1-13-24(11)32(38(58)50-31(23(9)10)37(57)48-27(40(60)61)18-20(3)4)51-34(54)26(16-15-17-45-41(43)44)47-28(53)19-46-36(56)30(22(7)8)49-39(59)33(25(12)14-2)52-35(55)29(42)21(5)6/h20-27,29-33H,13-19,42H2,1-12H3,(H,46,56)(H,47,53)(H,48,57)(H,49,59)(H,50,58)(H,51,54)(H,52,55)(H,60,61)(H4,43,44,45)/t24-,25-,26-,27-,29-,30-,31-,32-,33-/m0/s1