(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butanoyl]amino]-4-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxy-propionic acid Formula: C60H96N14O14S MolecularWeight: 1269.55464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)O)NC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C(C)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)N

InChI

InChI=1S/C60H96N14O14S/c1-35(2)29-44(66-50(77)33-65-52(79)46(71-51(78)37(5)63)31-38-17-9-7-10-18-38)57(84)73-47(32-39-19-11-8-12-20-39)59(86)70-43(25-28-89-6)56(83)72-45(30-36(3)4)58(85)69-42(23-24-49(64)76)55(82)68-40(21-13-15-26-61)53(80)67-41(22-14-16-27-62)54(81)74-48(34-75)60(87)88/h7-12,17-20,35-37,40-48,75H,13-16,21-34,61-63H2,1-6H3,(H2,64,76)(H,65,79)(H,66,77)(H,67,80)(H,68,82)(H,69,85)(H,70,86)(H,71,78)(H,72,83)(H,73,84)(H,74,81)(H,87,88)/t37-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1