(2R)-6-azanyl-2-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-azanyl-4-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]-4-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]-4-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]-4-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]-4-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]hexanamide

Systemtic Name: (2R)-6-azanyl-2-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-azanyl-4-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]-4-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]-4-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]-4-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]-4-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]hexanamide Openeye Name: (2R)-6-amino-2-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-amino-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]hexanamide CAS Name: (2R)-6-amino-2-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-amino-4-(4-amino-7-pyrrolo[2,3-d]pyrimidinyl)-1-oxobutyl]amino]-4-(4-amino-7-pyrrolo[2,3-d]pyrimidinyl)-1-oxobutyl]amino]-4-(4-amino-7-pyrrolo[2,3-d]pyrimidinyl)-1-oxobutyl]amino]-4-(4-amino-7-pyrrolo[2,3-d]pyrimidinyl)-1-oxobutyl]amino]-4-(4-amino-7-pyrrolo[2,3-d]pyrimidinyl)-1-oxobutyl]amino]hexanamide IUPAC Name: (2R)-6-amino-2-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-amino-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]hexanamide Traditional Name: (2R)-6-amino-2-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-amino-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]hexanamide Formula: C56H70N28O6 MolecularWeight: 1231.339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C2=C1C(=NC=N2)N)CC(CC(=O)NC(CC(=O)NC(CC(=O)NC(CC(=O)NC(CC(=O)NC(CCCCN)C(=O)N)CN3C=CC4=C3N=CN=C4N)CN5C=CC6=C5N=CN=C6N)CN7C=CC8=C7N=CN=C8N)CN9C=CC1=C9N=CN=C1N)N

Isomeric SMILES

C1=CN(C2=C1C(=NC=N2)N)C[C@H](CC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)N[C@H](CCCCN)C(=O)N)CN3C=CC4=C3N=CN=C4N)CN5C=CC6=C5N=CN=C6N)CN7C=CC8=C7N=CN=C8N)CN9C=CC1=C9N=CN=C1N)N

InChI

InChI=1S/C56H70N28O6/c57-9-2-1-3-40(51(64)90)79-45(89)19-34(24-84-14-8-39-50(63)69-29-74-56(39)84)78-44(88)18-33(23-83-13-7-38-49(62)68-28-73-55(38)83)77-43(87)17-32(22-82-12-6-37-48(61)67-27-72-54(37)82)76-42(86)16-31(21-81-11-5-36-47(60)66-26-71-53(36)81)75-41(85)15-30(58)20-80-10-4-35-46(59)65-25-70-52(35)80/h4-8,10-14,25-34,40H,1-3,9,15-24,57-58H2,(H2,64,90)(H,75,85)(H,76,86)(H,77,87)(H,78,88)(H,79,89)(H2,59,65,70)(H2,60,66,71)(H2,61,67,72)(H2,62,68,73)(H2,63,69,74)/t30-,31-,32-,33-,34-,40+/m0/s1