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(2S)-6-azanyl-N-[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2S)-2-[[(2S)-2-[2-[[(2S,3R)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanamide

Systemtic Name:	(2S)-6-azanyl-N-[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2S)-2-[[(2S)-2-[2-[[(2S,3R)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanamide
Openeye Name:	(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-1-carbamoyl-4-guanidino-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]hexanamide
CAS Name:	(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]hexanamide
IUPAC Name:	(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanamide
Traditional Name:	(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-1-carbamoyl-4-guanidino-butyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-1-methylol-ethyl]hexanamide
Formula:	C₅₅H₉₀N₂₀O₁₄
MolecularWeight:	1255.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NCC(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNCC(CC2=CC=C(C=C2)O)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC[C@H](CC2=CC=C(C=C2)O)N)O

InChI

InChI=1S/C55H90N20O14/c1-30(68-43(80)28-67-53(89)45(32(3)77)75-51(87)40(24-33-11-5-4-6-12-33)70-44(81)27-66-42(79)26-63-25-35(57)23-34-16-18-36(78)19-17-34)47(83)72-39(15-10-22-65-55(61)62)49(85)73-38(13-7-8-20-56)50(86)74-41(29-76)52(88)69-31(2)48(84)71-37(46(58)82)14-9-21-64-54(59)60/h4-6,11-12,16-19,30-32,35,37-41,45,63,76-78H,7-10,13-15,20-29,56-57H2,1-3H3,(H2,58,82)(H,66,79)(H,67,89)(H,68,80)(H,69,88)(H,70,81)(H,71,84)(H,72,83)(H,73,85)(H,74,86)(H,75,87)(H4,59,60,64)(H4,61,62,65)/t30-,31-,32+,35-,37-,38-,39-,40-,41-,45-/m0/s1

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