(4S)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamidohexanoyl]amino]-5-azanyl-pentanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-5-[[(2S)-1-[[2-[[(E,2S)-1-azanyl-6-azanylidene-hex-4-en-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamidohexanoyl]amino]-5-azanyl-pentanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-5-[[(2S)-1-[[2-[[(E,2S)-1-azanyl-6-azanylidene-hex-4-en-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamidohexanoyl]amino]-5-amino-pentanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-5-[[(1S)-2-[[2-[[(E,1S)-1-(aminomethyl)-5-imino-pent-3-enyl]amino]-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-1-oxohexyl]amino]-5-amino-1-oxopentyl]amino]-3-(4H-imidazol-4-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-5-[[(2S)-1-[[2-[[(E,2S)-1-amino-6-iminohex-4-en-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamidohexanoyl]amino]-5-aminopentanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[(2S)-1-[[2-[[(E,2S)-1-amino-6-iminohex-4-en-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamidohexanoyl]amino]-5-amino-pentanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-5-[[(1S)-2-[[2-[[(E,1S)-1-(aminomethyl)-5-imino-pent-3-enyl]amino]-2-keto-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C52H72N14O10 MolecularWeight: 1053.21588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CCCN)C(=O)NC(CC1C=NC=N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCC(=O)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)NC(CC=CC=N)CN)NC(=O)C

Isomeric SMILES

CCCC[C@@H](C(=O)N[C@H](CCCN)C(=O)N[C@@H](CC1C=NC=N1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)N[C@@H](C/C=C/C=N)CN)NC(=O)C

InChI

InChI=1S/C52H72N14O10/c1-3-4-17-39(60-32(2)67)48(72)62-40(19-12-23-54)49(73)66-44(26-36-29-56-31-59-36)52(76)64-42(24-33-13-6-5-7-14-33)51(75)63-41(20-21-46(69)70)50(74)65-43(25-34-28-57-38-18-9-8-16-37(34)38)47(71)58-30-45(68)61-35(27-55)15-10-11-22-53/h5-11,13-14,16,18,22,28-29,31,35-36,39-44,53,57H,3-4,12,15,17,19-21,23-27,30,54-55H2,1-2H3,(H,58,71)(H,60,67)(H,61,68)(H,62,72)(H,63,75)(H,64,76)(H,65,74)(H,66,73)(H,69,70)/b11-10+,53-22?/t35-,36?,39-,40+,41-,42+,43-,44-/m0/s1