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

Systemtic Name: (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-valeric acid Formula: C36H67N11O12 MolecularWeight: 845.98368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H67N11O12/c1-9-18(6)25(37)31(54)46-26(17(4)5)32(55)44-23(15-48)30(53)43-22(13-16(2)3)29(52)41-14-24(51)45-27(19(7)49)34(57)47-28(20(8)50)33(56)42-21(35(58)59)11-10-12-40-36(38)39/h16-23,25-28,48-50H,9-15,37H2,1-8H3,(H,41,52)(H,42,56)(H,43,53)(H,44,55)(H,45,51)(H,46,54)(H,47,57)(H,58,59)(H4,38,39,40)/t18-,19+,20+,21-,22-,23-,25-,26-,27-,28-/m0/s1