2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-5-guanidino-pentanoyl)amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-5-guanidino-pentanoyl)amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C64H103N17O12 MolecularWeight: 1302.60932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)NC(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C64H103N17O12/c1-34(2)25-46(55(85)73-33-53(83)74-52(62(92)93)30-39-19-21-41(82)22-20-39)77-61(91)51(31-40-32-72-44-17-12-11-15-42(40)44)81-60(90)49(28-37(7)8)78-56(86)45(18-14-24-71-64(68)69)75-57(87)48(27-36(5)6)79-59(89)50(29-38(9)10)80-58(88)47(26-35(3)4)76-54(84)43(65)16-13-23-70-63(66)67/h11-12,15,17,19-22,32,34-38,43,45-52,72,82H,13-14,16,18,23-31,33,65H2,1-10H3,(H,73,85)(H,74,83)(H,75,87)(H,76,84)(H,77,91)(H,78,86)(H,79,89)(H,80,88)(H,81,90)(H,92,93)(H4,66,67,70)(H4,68,69,71)