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

Systemtic Name: 2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-(2-azanylethanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoic acid Openeye Name: 2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]propanoic acid CAS Name: 2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]propanoic acid IUPAC Name: 2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]propanoic acid Traditional Name: 2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-(glycylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]prolyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]propionic acid Formula: C52H84N14O12 MolecularWeight: 1097.30996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(C)C(=O)O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN

Isomeric SMILES

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(C)C(=O)O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN

InChI

InChI=1S/C52H84N14O12/c1-10-28(6)41(48(74)65-42(31(9)67)49(75)59-30(8)51(77)78)64-47(73)39-18-14-20-66(39)50(76)29(7)58-44(70)36(21-26(2)3)63-45(71)37(22-27(4)5)62-43(69)35(17-13-19-56-52(54)55)61-46(72)38(60-40(68)24-53)23-32-25-57-34-16-12-11-15-33(32)34/h11-12,15-16,25-31,35-39,41-42,57,67H,10,13-14,17-24,53H2,1-9H3,(H,58,70)(H,59,75)(H,60,68)(H,61,72)(H,62,69)(H,63,71)(H,64,73)(H,65,74)(H,77,78)(H4,54,55,56)