(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2,6-bis(azanyl)hexanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2,6-bis(azanyl)hexanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]hexanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2,6-diamino-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1-oxohexyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]prolyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]hexanoyl]amino]-4-methyl-valeric acid Formula: C52H79N11O12 MolecularWeight: 1050.25016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C)NC(=O)C3CCCN3C(=O)C(CCCCN)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)N

InChI

InChI=1S/C52H79N11O12/c1-31(2)28-41(52(74)75)62-46(68)37(21-12-14-26-54)59-47(69)38(23-24-43(64)65)58-44(66)32(3)56-48(70)39(29-34-16-7-5-8-17-34)61-49(71)40(30-35-18-9-6-10-19-35)60-45(67)33(4)57-50(72)42-22-15-27-63(42)51(73)36(55)20-11-13-25-53/h5-10,16-19,31-33,36-42H,11-15,20-30,53-55H2,1-4H3,(H,56,70)(H,57,72)(H,58,66)(H,59,69)(H,60,67)(H,61,71)(H,62,68)(H,64,65)(H,74,75)/t32-,33-,36-,37-,38-,39-,40-,41-,42-/m0/s1