(2R)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-3-(2,6-dimethyl-4-oxidanyl-phenyl)-2-methyl-propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]-methyl-amino]pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2R)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-3-(2,6-dimethyl-4-oxidanyl-phenyl)-2-methyl-propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]-methyl-amino]pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2R)-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxy-2,6-dimethyl-phenyl)-2-methyl-propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]-methyl-amino]pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-methyl-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopentyl]-methylamino]-1-oxopentyl]amino]-4-methylpentanoic acid IUPAC Name: (2R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-methylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-methylamino]pentanoyl]amino]-4-methylpentanoic acid Traditional Name: (2R)-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxy-2,6-dimethyl-phenyl)-2-methyl-propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]-methyl-amino]pentanoyl]amino]-4-methyl-valeric acid Formula: C50H79N13O10 MolecularWeight: 1022.24336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C)C(=O)NCC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N(C)C(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)O)C)O

Isomeric SMILES

CC1=CC(=CC(=C1C[C@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(C)[C@@H](CCCN=C(N)N)C(=O)N[C@H](CC(C)C)C(=O)O)C)O

InChI

InChI=1S/C50H79N13O10/c1-28(2)20-37(44(68)60-36(16-12-18-55-49(51)52)47(71)63(8)40(17-13-19-56-50(53)54)46(70)62-39(48(72)73)21-29(3)4)61-45(69)38(25-33-14-10-9-11-15-33)59-42(66)27-57-41(65)26-58-43(67)32(7)24-35-30(5)22-34(64)23-31(35)6/h9-11,14-15,22-23,28-29,32,36-40,64H,12-13,16-21,24-27H2,1-8H3,(H,57,65)(H,58,67)(H,59,66)(H,60,68)(H,61,69)(H,62,70)(H,72,73)(H4,51,52,55)(H4,53,54,56)/t32-,36-,37-,38-,39+,40-/m0/s1