(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-azanylpropanoyl]pyrrolidin-2-yl]carbonylamino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-azanylpropanoyl]pyrrolidin-2-yl]carbonylamino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[[(2S)-1-[2-[[[(2S)-1-[(2S)-2-amino-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxohexyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-aminopropanoyl]prolyl]amino]acetyl]prolyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-3-hydroxy-propionic acid Formula: C27H46N8O10 MolecularWeight: 642.70174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)NCC(=O)N2CCCC2C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)O)N

Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)N

InChI

InChI=1S/C27H46N8O10/c1-15(29)26(43)35-11-5-7-19(35)24(41)30-12-21(38)34-10-4-8-20(34)25(42)32-17(13-36)23(40)31-16(6-2-3-9-28)22(39)33-18(14-37)27(44)45/h15-20,36-37H,2-14,28-29H2,1H3,(H,30,41)(H,31,40)(H,32,42)(H,33,39)(H,44,45)/t15-,16-,17-,18-,19-,20-/m0/s1