(4S)-4-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanylpropanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]ethanoylamino]propanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanylpropanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]ethanoylamino]propanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]-5-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-mercapto-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-5-keto-pentanoyl]amino]-5-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C61H82N16O14S MolecularWeight: 1295.46758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CS)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(C)C(=O)NCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC5=CC=CC=C5)C(=O)N)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N)N

InChI

InChI=1S/C61H82N16O14S/c1-32(63)53(83)77-48(31-92)61(91)76-47(27-37-29-67-41-18-10-8-16-39(37)41)60(90)75-46(26-36-28-66-40-17-9-7-15-38(36)40)59(89)70-33(2)54(84)68-30-50(79)69-34(3)55(85)71-42(19-11-12-24-62)56(86)72-43(20-22-49(64)78)57(87)73-44(21-23-51(80)81)58(88)74-45(52(65)82)25-35-13-5-4-6-14-35/h4-10,13-18,28-29,32-34,42-48,66-67,92H,11-12,19-27,30-31,62-63H2,1-3H3,(H2,64,78)(H2,65,82)(H,68,84)(H,69,79)(H,70,89)(H,71,85)(H,72,86)(H,73,87)(H,74,88)(H,75,90)(H,76,91)(H,77,83)(H,80,81)/t32-,33-,34-,42-,43-,44-,45-,46-,47-,48-/m0/s1