(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-naphthalen-1-yl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-naphthalen-1-yl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoyl]amino]-3-(1-naphthyl)propanoyl]amino]-5-oxo-pentanoyl]amino]propanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1,4-dioxobutyl]amino]-3-(1-naphthalenyl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-1-oxopropyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-keto-butanoyl]amino]-3-(1-naphthyl)propanoyl]amino]-5-keto-pentanoyl]amino]propanoyl]amino]hexanoic acid Formula: C52H76N12O11 MolecularWeight: 1045.23364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)N)C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCCN)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC1=CC=CC2=CC=CC=C21)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C52H76N12O11/c1-30(2)26-39(61-46(68)36(55)20-9-11-24-53)48(70)62-40(27-32-14-5-4-6-15-32)49(71)64-42(29-44(57)66)51(73)63-41(28-34-18-13-17-33-16-7-8-19-35(33)34)50(72)59-37(22-23-43(56)65)47(69)58-31(3)45(67)60-38(52(74)75)21-10-12-25-54/h4-8,13-19,30-31,36-42H,9-12,20-29,53-55H2,1-3H3,(H2,56,65)(H2,57,66)(H,58,69)(H,59,72)(H,60,67)(H,61,68)(H,62,70)(H,63,73)(H,64,71)(H,74,75)/t31-,36-,37-,38-,39-,40-,41-,42-/m0/s1