(2R)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-5-oxo-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[(2S)-2-[[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-1,5-dioxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]-5-keto-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]prolyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid Formula: C65H92N14O13 MolecularWeight: 1277.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(C)C)NC(=O)C(CCCN)NC(=O)C(C(C)C)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C65H92N14O13/c1-36(2)29-47(59(85)76-50(31-39-17-9-7-10-18-39)64(90)79-28-16-24-52(79)62(88)75-48(30-37(3)4)60(86)77-51(65(91)92)32-40-19-11-8-12-20-40)73-57(83)45(23-15-27-66)72-63(89)55(38(5)6)78-61(87)49(33-41-35-70-44-22-14-13-21-42(41)44)74-58(84)46(25-26-53(68)80)71-56(82)43(67)34-54(69)81/h7-14,17-22,35-38,43,45-52,55,70H,15-16,23-34,66-67H2,1-6H3,(H2,68,80)(H2,69,81)(H,71,82)(H,72,89)(H,73,83)(H,74,84)(H,75,88)(H,76,85)(H,77,86)(H,78,87)(H,91,92)/t43-,45-,46-,47-,48-,49-,50+,51+,52-,55-/m0/s1