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

Systemtic Name: (2S,3S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[2-[[(2S,3R)-2-[[(2S)-2-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-(glycylamino)-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-4-keto-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-valeric acid Formula: C33H61N15O12 MolecularWeight: 859.93074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H61N15O12/c1-4-15(2)24(31(59)60)47-29(57)20(14-49)46-28(56)19(11-21(35)51)45-26(54)17(7-5-9-40-32(36)37)44-23(53)13-42-30(58)25(16(3)50)48-27(55)18(43-22(52)12-34)8-6-10-41-33(38)39/h15-20,24-25,49-50H,4-14,34H2,1-3H3,(H2,35,51)(H,42,58)(H,43,52)(H,44,53)(H,45,54)(H,46,56)(H,47,57)(H,48,55)(H,59,60)(H4,36,37,40)(H4,38,39,41)/t15-,16+,17-,18-,19-,20-,24-,25-/m0/s1