(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-azanyl-2-[[(2R)-2-[[(2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]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)-6-azanyl-2-[[(2R)-2-[[(2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]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)-6-amino-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]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)-6-amino-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxohexyl]amino]-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)-6-amino-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-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)-6-amino-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C52H79N13O11 MolecularWeight: 1062.26416

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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)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CCCCN)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)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C52H79N13O11/c1-30(2)23-40(48(71)63-42(52(75)76)25-32-27-58-37-17-6-4-14-34(32)37)61-49(72)41(24-31-26-57-36-16-5-3-13-33(31)36)62-46(69)38(18-8-11-21-54)59-51(74)44(29-67)65-47(70)39(19-9-12-22-55)60-50(73)43(28-66)64-45(68)35(56)15-7-10-20-53/h3-6,13-14,16-17,26-27,30,35,38-44,57-58,66-67H,7-12,15,18-25,28-29,53-56H2,1-2H3,(H,59,74)(H,60,73)(H,61,72)(H,62,69)(H,63,71)(H,64,68)(H,65,70)(H,75,76)/t35-,38-,39-,40-,41+,42+,43+,44+/m0/s1