[[3-[1-[5-[bis(azanyl)methylideneamino]-2-[[2-[[2-[[2-[[2-[[2-[[3-(4H-imidazol-4-yl)-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]pyrrolidin-2-yl]-3-oxidanylidene-propanoyl]amino] ethanoate

Systemtic Name: [[3-[1-[5-[bis(azanyl)methylideneamino]-2-[[2-[[2-[[2-[[2-[[2-[[3-(4H-imidazol-4-yl)-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]pyrrolidin-2-yl]-3-oxidanylidene-propanoyl]amino] ethanoate Openeye Name: [[3-[1-[5-guanidino-2-[[2-[[2-[[2-[[3-hydroxy-2-[[2-[[3-(4H-imidazol-4-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]pyrrolidin-2-yl]-3-oxo-propanoyl]amino] acetate CAS Name: acetic acid [[3-[1-[5-(diaminomethylideneamino)-2-[[2-[[2-[[2-[[3-hydroxy-2-[[2-[[3-(4H-imidazol-4-yl)-1-oxo-2-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]propyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopentyl]-2-pyrrolidinyl]-1,3-dioxopropyl]amino] ester IUPAC Name: [[3-[1-[5-(diaminomethylideneamino)-2-[[2-[[2-[[2-[[3-hydroxy-2-[[2-[[3-(4H-imidazol-4-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]pyrrolidin-2-yl]-3-oxopropanoyl]amino] acetate Traditional Name: acetic acid [[3-[1-[5-guanidino-2-[[2-[[2-[[2-[[3-hydroxy-2-[[2-[[3-(4H-imidazol-4-yl)-2-(pyroglutamoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]pyrrolidin-2-yl]-3-keto-propanoyl]amino] ester Formula: C61H84N16O14 MolecularWeight: 1265.41846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)CC(=O)NOC(=O)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5C=NC=N5)NC(=O)C6CCC(=O)N6

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)CC(=O)NOC(=O)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5C=NC=N5)NC(=O)C6CCC(=O)N6

InChI

InChI=1S/C61H84N16O14/c1-33(2)23-43(54(84)69-42(17-11-21-65-61(62)63)60(90)77-22-12-18-49(77)50(80)28-52(82)76-91-35(5)79)70-55(85)44(24-34(3)4)71-56(86)45(25-36-13-7-6-8-14-36)72-59(89)48(31-78)75-57(87)46(26-37-29-66-40-16-10-9-15-39(37)40)73-58(88)47(27-38-30-64-32-67-38)74-53(83)41-19-20-51(81)68-41/h6-10,13-16,29-30,32-34,38,41-49,66,78H,11-12,17-28,31H2,1-5H3,(H,68,81)(H,69,84)(H,70,85)(H,71,86)(H,72,89)(H,73,88)(H,74,83)(H,75,87)(H,76,82)(H4,62,63,65)