2-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]prolyl]amino]acetyl]amino]acetic acid Formula: C39H60N12O9 MolecularWeight: 840.9687

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NCC(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N

InChI

InChI=1S/C39H60N12O9/c1-21(2)15-28(49-34(56)25(40)16-23-17-44-26-10-6-5-9-24(23)26)35(57)46-19-31(53)48-27(11-7-13-43-39(41)42)36(58)50-33(22(3)4)38(60)51-14-8-12-29(51)37(59)47-18-30(52)45-20-32(54)55/h5-6,9-10,17,21-22,25,27-29,33,44H,7-8,11-16,18-20,40H2,1-4H3,(H,45,52)(H,46,57)(H,47,59)(H,48,53)(H,49,56)(H,50,58)(H,54,55)(H4,41,42,43)/t25-,27-,28-,29-,33-/m0/s1