(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-4-azanyl-2-[[(2S,3R)-2-[[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-4-azanyl-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-4-azanyl-2-[[(2S,3R)-2-[[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-4-azanyl-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-4-oxo-butanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-1-oxohexyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-4-keto-butanoyl]prolyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-4-keto-butanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]hexanoic acid Formula: C56H90N16O16 MolecularWeight: 1243.4114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)O)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)N)O

InChI

InChI=1S/C56H90N16O16/c1-29(2)23-33(60)47(78)70-41(26-44(62)75)55(86)72-22-12-18-42(72)53(84)65-36(16-7-10-20-58)49(80)71-46(30(3)73)54(85)69-39(25-43(61)74)51(82)64-35(15-6-9-19-57)48(79)67-38(24-31-28-63-34-14-5-4-13-32(31)34)50(81)68-40(27-45(76)77)52(83)66-37(56(87)88)17-8-11-21-59/h4-5,13-14,28-30,33,35-42,46,63,73H,6-12,15-27,57-60H2,1-3H3,(H2,61,74)(H2,62,75)(H,64,82)(H,65,84)(H,66,83)(H,67,79)(H,68,81)(H,69,85)(H,70,78)(H,71,80)(H,76,77)(H,87,88)/t30-,33+,35+,36+,37+,38+,39+,40+,41+,42+,46+/m1/s1