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

Systemtic Name: (2S)-2-[2-[[(2S)-2-[2-[[(2S)-2-[[(2S,3S)-2-[2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-3-methyl-butanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-3-methyl-butanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-5-guanidino-valeric acid Formula: C36H57N11O11 MolecularWeight: 819.90488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)C(C(C)C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C36H57N11O11/c1-5-20(4)30(47-27(50)18-43-33(55)29(37)19(2)3)34(56)46-24(15-28(51)52)32(54)42-17-26(49)45-23(14-21-10-7-6-8-11-21)31(53)41-16-25(48)44-22(35(57)58)12-9-13-40-36(38)39/h6-8,10-11,19-20,22-24,29-30H,5,9,12-18,37H2,1-4H3,(H,41,53)(H,42,54)(H,43,55)(H,44,48)(H,45,49)(H,46,56)(H,47,50)(H,51,52)(H,57,58)(H4,38,39,40)/t20-,22-,23-,24-,29-,30-/m0/s1