(3S)-2-[(2S)-2-[[(2S)-3-azanyl-2-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]-N-[3-[[(3S)-2-[(2S)-2-[[(2S)-3-azanyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-3-yl]carbonylamino]-2-oxidanyl-propyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide

Systemtic Name: (3S)-2-[(2S)-2-[[(2S)-3-azanyl-2-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]-N-[3-[[(3S)-2-[(2S)-2-[[(2S)-3-azanyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-3-yl]carbonylamino]-2-oxidanyl-propyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide Openeye Name: (3S)-2-[(2S)-2-[[(2S)-3-amino-2-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]-N-[3-[[(3S)-2-[(2S)-2-[[(2S)-3-amino-2-[[4-methyl-2-(methylamino)pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carbonyl]amino]-2-hydroxy-propyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide CAS Name: (3S)-2-[(2S)-2-[[(2S)-3-amino-2-[[(2R)-4-methyl-2-(methylamino)-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]-N-[3-[[[(3S)-2-[(2S)-2-[[(2S)-3-amino-2-[[4-methyl-2-(methylamino)-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-3-yl]-oxomethyl]amino]-2-hydroxypropyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide IUPAC Name: (3S)-2-[(2S)-2-[[(2S)-3-amino-2-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]-N-[3-[[(3S)-2-[(2S)-2-[[(2S)-3-amino-2-[[4-methyl-2-(methylamino)pentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carbonyl]amino]-2-hydroxypropyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide Traditional Name: (3S)-2-[(2S)-2-[[(2S)-3-amino-2-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]-N-[3-[[(3S)-2-[(2S)-2-[[(2S)-3-amino-2-[[4-methyl-2-(methylamino)pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]-1,3,4,9-tetrahydro-$b-carboline-3-carbonyl]amino]-2-hydroxy-propyl]-1,3,4,9-tetrahydro-$b-carboline-3-carboxamide Formula: C65H86N14O9 MolecularWeight: 1207.46674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CN)C(=O)NC(CC1=CC=CC=C1)C(=O)N2CC3=C(CC2C(=O)NCC(CNC(=O)C4CC5=C(CN4C(=O)C(CC6=CC=CC=C6)NC(=O)C(CN)NC(=O)C(CC(C)C)NC)NC7=CC=CC=C57)O)C8=CC=CC=C8N3)NC

Isomeric SMILES

CC(C)C[C@H](C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CC3=C(C[C@H]2C(=O)NCC(CNC(=O)[C@@H]4CC5=C(CN4C(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CN)NC(=O)C(CC(C)C)NC)NC7=CC=CC=C57)O)C8=CC=CC=C8N3)NC

InChI

InChI=1S/C65H86N14O9/c1-37(2)25-48(68-5)58(81)76-52(31-66)60(83)74-50(27-39-17-9-7-10-18-39)64(87)78-35-54-44(42-21-13-15-23-46(42)72-54)29-56(78)62(85)70-33-41(80)34-71-63(86)57-30-45-43-22-14-16-24-47(43)73-55(45)36-79(57)65(88)51(28-40-19-11-8-12-20-40)75-61(84)53(32-67)77-59(82)49(69-6)26-38(3)4/h7-24,37-38,41,48-53,56-57,68-69,72-73,80H,25-36,66-67H2,1-6H3,(H,70,85)(H,71,86)(H,74,83)(H,75,84)(H,76,81)(H,77,82)/t41?,48-,49?,50+,51+,52+,53+,56+,57+/m1/s1