(3R)-3-[[(2R)-1-[(2R)-6-azanyl-2-[[(2R)-5-azanyl-2-[[(2R)-6-azanyl-2-[[(2R)-2-[[(2R,3S)-2-[[(2R)-5-azanyl-2-[[(2S)-2-azanyl-3-sulfanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-4-[[(2R)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3R)-3-[[(2R)-1-[(2R)-6-azanyl-2-[[(2R)-5-azanyl-2-[[(2R)-6-azanyl-2-[[(2R)-2-[[(2R,3S)-2-[[(2R)-5-azanyl-2-[[(2S)-2-azanyl-3-sulfanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-4-[[(2R)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3R)-3-[[(2R)-1-[(2R)-6-amino-2-[[(2R)-5-amino-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R,3S)-2-[[(2R)-5-amino-2-[[(2S)-2-amino-3-sulfanyl-propanoyl]amino]-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-[[(1R)-1-[[(1S)-2-amino-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-3-methyl-butyl]amino]-4-oxo-butanoic acid CAS Name: (3R)-3-[[[(2R)-1-[(2R)-6-amino-2-[[(2R)-5-amino-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R,3S)-2-[[(2R)-5-amino-2-[[(2S)-2-amino-3-mercapto-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-[[(2R)-1-[[(2S)-1-amino-3-mercapto-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3R)-3-[[(2R)-1-[(2R)-6-amino-2-[[(2R)-5-amino-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R,3S)-2-[[(2R)-5-amino-2-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-[[(2R)-1-[[(2S)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3R)-3-[[(2R)-1-[(2R)-6-amino-2-[[(2R)-5-amino-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R,3S)-2-[[(2R)-5-amino-2-[[(2S)-2-amino-3-mercapto-propanoyl]amino]-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-5-keto-pentanoyl]amino]hexanoyl]prolyl]amino]-4-[[(1R)-1-[[(1S)-2-amino-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-3-methyl-butyl]amino]-4-keto-butyric acid Formula: C60H97N17O15S2 MolecularWeight: 1360.64708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)N3CCCC3C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CS)C(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CS)N

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H](CCCCN)C(=O)N3CCC[C@@H]3C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CS)C(=O)N)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H](CS)N

InChI

InChI=1S/C60H97N17O15S2/c1-5-32(4)49(76-54(86)39(19-21-47(65)79)68-51(83)35(63)29-93)59(91)74-42(26-33-28-67-36-14-7-6-13-34(33)36)56(88)69-37(15-8-10-22-61)52(84)70-38(18-20-46(64)78)53(85)71-40(16-9-11-23-62)60(92)77-24-12-17-45(77)58(90)73-43(27-48(80)81)57(89)72-41(25-31(2)3)55(87)75-44(30-94)50(66)82/h6-7,13-14,28,31-32,35,37-45,49,67,93-94H,5,8-12,15-27,29-30,61-63H2,1-4H3,(H2,64,78)(H2,65,79)(H2,66,82)(H,68,83)(H,69,88)(H,70,84)(H,71,85)(H,72,89)(H,73,90)(H,74,91)(H,75,87)(H,76,86)(H,80,81)/t32-,35+,37+,38+,39+,40+,41+,42+,43+,44+,45+,49+/m0/s1