(2S)-2-[2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]acetyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxohexyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]acetyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-keto-butanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]acetyl]amino]-4-methyl-valeric acid Formula: C41H74N14O13 MolecularWeight: 971.11226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H74N14O13/c1-19(2)15-27(40(67)68)50-29(57)18-48-34(61)26(17-30(58)59)54-35(62)23(11-8-9-13-42)52-39(66)32(21(5)6)55-37(64)25(16-28(43)56)53-36(63)24(12-10-14-47-41(45)46)51-33(60)22(7)49-38(65)31(44)20(3)4/h19-27,31-32H,8-18,42,44H2,1-7H3,(H2,43,56)(H,48,61)(H,49,65)(H,50,57)(H,51,60)(H,52,66)(H,53,63)(H,54,62)(H,55,64)(H,58,59)(H,67,68)(H4,45,46,47)/t22-,23-,24-,25-,26-,27-,31-,32-/m0/s1