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

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[2-[[(2S)-4-azanyl-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]acetyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-valeric acid Formula: C34H61N11O11 MolecularWeight: 799.91524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H61N11O11/c1-7-17(5)26(36)31(53)43-21(13-23(35)46)28(50)40-15-24(47)41-22(14-25(48)49)30(52)45-27(18(6)8-2)32(54)44-20(12-16(3)4)29(51)42-19(33(55)56)10-9-11-39-34(37)38/h16-22,26-27H,7-15,36H2,1-6H3,(H2,35,46)(H,40,50)(H,41,47)(H,42,51)(H,43,53)(H,44,54)(H,45,52)(H,48,49)(H,55,56)(H4,37,38,39)/t17-,18-,19-,20-,21-,22-,26-,27-/m0/s1