(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]-methyl-amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]-methyl-amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]-methyl-amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]-methyl-amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]-methyl-amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]-methyl-amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]-methylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]-methylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]-methyl-amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]-methyl-amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C65H94N18O9 MolecularWeight: 1271.55706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC3=CNC4=CC=CC=C43)N(C)C(=O)C(CC(C)C)NC(=O)C(CC5=CNC6=CC=CC=C65)N(C)C(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC5=CNC6=CC=CC=C65)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C65H94N18O9/c1-37(2)29-51(58(86)81-53(63(91)92)31-39-34-74-46-21-10-7-17-42(39)46)79-59(87)54(32-40-35-75-47-22-11-8-18-43(40)47)83(6)62(90)52(30-38(3)4)80-60(88)55(33-41-36-76-48-23-12-9-19-44(41)48)82(5)61(89)50(24-13-14-26-66)78-57(85)49(25-16-28-73-65(70)71)77-56(84)45(67)20-15-27-72-64(68)69/h7-12,17-19,21-23,34-38,45,49-55,74-76H,13-16,20,24-33,66-67H2,1-6H3,(H,77,84)(H,78,85)(H,79,87)(H,80,88)(H,81,86)(H,91,92)(H4,68,69,72)(H4,70,71,73)/t45-,49+,50-,51-,52-,53+,54+,55+/m0/s1