(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2R,3S)-2-[[(2S)-2-(2-acetamidoethanoylamino)-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-N-[(2S)-5-[bis(azanyl)methylideneamino]-1-(ethylamino)-1-oxidanylidene-pentan-2-yl]-3-methyl-pentanamide

Systemtic Name: (2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2R,3S)-2-[[(2S)-2-(2-acetamidoethanoylamino)-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-N-[(2S)-5-[bis(azanyl)methylideneamino]-1-(ethylamino)-1-oxidanylidene-pentan-2-yl]-3-methyl-pentanamide Openeye Name: (2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2R,3S)-2-[[(2S)-2-[(2-acetamidoacetyl)amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-pentanoyl]amino]-N-[(1S)-1-(ethylcarbamoyl)-4-guanidino-butyl]-3-methyl-pentanamide CAS Name: (2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2R,3S)-2-[[(2S)-2-[(2-acetamido-1-oxoethyl)amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-N-[(2S)-5-(diaminomethylideneamino)-1-(ethylamino)-1-oxopentan-2-yl]-3-methylpentanamide IUPAC Name: (2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2R,3S)-2-[[(2S)-2-[(2-acetamidoacetyl)amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-5-(diaminomethylideneamino)-1-(ethylamino)-1-oxopentan-2-yl]-3-methylpentanamide Traditional Name: (2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2R,3S)-2-[[(2S)-2-[(2-acetamidoacetyl)amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-pentanoyl]amino]-N-[(1S)-1-(ethylcarbamoyl)-4-guanidino-butyl]-3-methyl-valeramide Formula: C39H74N14O9 MolecularWeight: 883.09326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H74N14O9/c1-10-21(6)29(35(60)48-25(32(57)44-12-3)15-13-17-45-38(40)41)51-33(58)26(16-14-18-46-39(42)43)49-37(62)31(23(8)54)53-36(61)30(22(7)11-2)52-34(59)28(20(4)5)50-27(56)19-47-24(9)55/h20-23,25-26,28-31,54H,10-19H2,1-9H3,(H,44,57)(H,47,55)(H,48,60)(H,49,62)(H,50,56)(H,51,58)(H,52,59)(H,53,61)(H4,40,41,45)(H4,42,43,46)/t21-,22-,23+,25-,26-,28-,29-,30+,31-/m0/s1